2-(2-chloro-4,6-dimethylphenyl)-N-(spiro[2.5]octan-6-ylmethyl)-2-triethylsilyloxyethanamine

C25H42ClNOSi — CID 123276173

IUPAC2-(2-chloro-4,6-dimethylphenyl)-N-(spiro[2.5]octan-6-ylmethyl)-2-triethylsilyloxyethanamine
SMILESCC[Si](CC)(CC)OC(CNCC1CCC2(CC1)CC2)c1c(C)cc(C)cc1Cl
InChIInChI=1S/C25H42ClNOSi/c1-6-29(7-2,8-3)28-23(24-20(5)15-19(4)16-22(24)26)18-27-17-21-9-11-25(12-10-21)13-14-25/h15-16,21,23,27H,6-14,17-18H2,1-5H3
InChIKeyDSNBGXOACLGUMV-UHFFFAOYSA-N
MW436.16 g/mol
LogP7.58
Rot. Bonds10

About 2-(2-chloro-4,6-dimethylphenyl)-N-(spiro[2.5]octan-6-ylmethyl)-2-triethylsilyloxyethanamine

2-(2-chloro-4,6-dimethylphenyl)-N-(spiro[2.5]octan-6-ylmethyl)-2-triethylsilyloxyethanamine (PubChem CID 123276173) has the molecular formula C25H42ClNOSi and a molecular weight of 436.16 g/mol. Its IUPAC name is 2-(2-chloro-4,6-dimethylphenyl)-N-(spiro[2.5]octan-6-ylmethyl)-2-triethylsilyloxyethanamine.

Molecular Properties

Compound Name2-(2-chloro-4,6-dimethylphenyl)-N-(spiro[2.5]octan-6-ylmethyl)-2-triethylsilyloxyethanamine
PubChem CID123276173
Molecular FormulaC25H42ClNOSi
Molecular Weight436.16 g/mol
Exact Mass435.27
IUPAC Name2-(2-chloro-4,6-dimethylphenyl)-N-(spiro[2.5]octan-6-ylmethyl)-2-triethylsilyloxyethanamine
SMILESCC[Si](CC)(CC)OC(CNCC1CCC2(CC1)CC2)c1c(C)cc(C)cc1Cl
InChIInChI=1S/C25H42ClNOSi/c1-6-29(7-2,8-3)28-23(24-20(5)15-19(4)16-22(24)26)18-27-17-21-9-11-25(12-10-21)13-14-25/h15-16,21,23,27H,6-14,17-18H2,1-5H3
InChIKeyDSNBGXOACLGUMV-UHFFFAOYSA-N
XLogP7.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.16
LogP ≤ 57.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-(2-chloro-4,6-dimethylphenyl)-N-(spiro[2.5]octan-6-ylmethyl)-2-triethylsilyloxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2-chloro-4,6-dimethylphenyl)-3-(4,4-dimethylcyclohexyl)propoxy]-triethylsilane
CID 158762913
4-[[[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]amino]methyl]-1-methylcyclohexan-1-ol
CID 123654554
2-(2,6-dichloro-4-methoxyphenyl)-N-[(3,3-dimethylcyclobutyl)methyl]-2-triethylsilyloxyethanamine
CID 123321199
N-[2-(2,6-dichlorophenyl)-2-triethylsilyloxyethyl]spiro[3.3]heptan-3-amine
CID 123383749
N-[(2S)-2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]spiro[3.3]heptan-2-amine
CID 125493616
[1-(2-chloro-4,6-dimethylphenyl)-4-(3,5-difluorophenyl)butoxy]-triethylsilane
CID 160665808
N-(cyclopropylmethyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 65382922
[1-(3-chloro-5-methyl-4-pyridinyl)-3-[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.0]hexanyl]propoxy]-triethylsilane
CID 159162012
1-(4-chloro-2,6-dimethylphenyl)ethoxy-triethylsilane
CID 123489978
[1-[2-chloro-6-(trifluoromethyl)phenyl]-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-fluorophenyl)-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-fluorophenyl)-4-(4-methyl-7-oxabicyclo[2.2.1]heptan-1-yl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-methylphenyl)-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[4-(3,3-dimethylcyclobutyl)-1-(2,4,6-trichlorophenyl)butoxy]-triethylsilane;[4-(4,4-dimethylcyclohexyl)-1-(2,4,6-trichlorophenyl)butoxy]-triethylsilane
CID 159606876
2-(cyclopentylmethylamino)-1-(2,5-dichlorophenyl)ethanol
CID 60900468
2-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-triethylsilyloxyethanamine
CID 123999425

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4,6-dimethylphenyl)-N-(spiro[2.5]octan-6-ylmethyl)-2-triethylsilyloxyethanamine?
The IUPAC name of 2-(2-chloro-4,6-dimethylphenyl)-N-(spiro[2.5]octan-6-ylmethyl)-2-triethylsilyloxyethanamine (CID 123276173) is 2-(2-chloro-4,6-dimethylphenyl)-N-(spiro[2.5]octan-6-ylmethyl)-2-triethylsilyloxyethanamine.
What is the SMILES notation for 2-(2-chloro-4,6-dimethylphenyl)-N-(spiro[2.5]octan-6-ylmethyl)-2-triethylsilyloxyethanamine?
The canonical SMILES for 2-(2-chloro-4,6-dimethylphenyl)-N-(spiro[2.5]octan-6-ylmethyl)-2-triethylsilyloxyethanamine is CC[Si](CC)(CC)OC(CNCC1CCC2(CC1)CC2)c1c(C)cc(C)cc1Cl.
What is the InChIKey of 2-(2-chloro-4,6-dimethylphenyl)-N-(spiro[2.5]octan-6-ylmethyl)-2-triethylsilyloxyethanamine?
The InChIKey is DSNBGXOACLGUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42ClNOSi/c1-6-29(7-2,8-3)28-23(24-20(5)15-19(4)16-22(24)26)18-27-17-21-9-11-25(12-10-21)13-14-25/h15-16,21,23,27H,6-14,17-18H2,1-5H3.
What are the key properties of 2-(2-chloro-4,6-dimethylphenyl)-N-(spiro[2.5]octan-6-ylmethyl)-2-triethylsilyloxyethanamine?
2-(2-chloro-4,6-dimethylphenyl)-N-(spiro[2.5]octan-6-ylmethyl)-2-triethylsilyloxyethanamine has a molecular weight of 436.16 g/mol, XLogP of 7.58, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4,6-dimethylphenyl)-N-(spiro[2.5]octan-6-ylmethyl)-2-triethylsilyloxyethanamine is sourced from PubChem (CID 123276173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).