5-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine

C18H31NO — CID 65304461

IUPAC5-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine
SMILESCOCCNCCC(C)(C)CCc1cc(C)ccc1C
InChIInChI=1S/C18H31NO/c1-15-6-7-16(2)17(14-15)8-9-18(3,4)10-11-19-12-13-20-5/h6-7,14,19H,8-13H2,1-5H3
InChIKeyACZRIXFKLFJNFT-UHFFFAOYSA-N
MW277.45 g/mol
LogP3.89
Rot. Bonds9

About 5-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine

5-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine (PubChem CID 65304461) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 5-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine
PubChem CID65304461
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name5-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine
SMILESCOCCNCCC(C)(C)CCc1cc(C)ccc1C
InChIInChI=1S/C18H31NO/c1-15-6-7-16(2)17(14-15)8-9-18(3,4)10-11-19-12-13-20-5/h6-7,14,19H,8-13H2,1-5H3
InChIKeyACZRIXFKLFJNFT-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine
CID 65304715
5-(2,5-dibromophenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine
CID 65305047
5-(2-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine
CID 65304076
2-[(2,5-dimethylphenyl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 83139642
N-[2-(2,5-dimethylphenyl)sulfanylethyl]-2-methoxyethanamine
CID 62584866
N-[4-(2,5-dimethylphenyl)-2,2-dimethylbutyl]cyclopropanamine
CID 65308480
2-amino-4-(2,5-dimethylphenyl)-2-methylbutanenitrile
CID 82076657
2-(3,5-dimethylphenyl)-4-(2-methoxyethylamino)butan-2-ol
CID 66002283
2-(2-chloroethyl)-1,4-dimethylbenzene
CID 53403519
1-N-[2-(2,5-dimethylphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136100
3-(2-tert-butyl-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 2300142
ethane;N-(2-methoxyethyl)-4-methyl-2-propylaniline
CID 153334759

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine?
The IUPAC name of 5-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine (CID 65304461) is 5-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine.
What is the SMILES notation for 5-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine?
The canonical SMILES for 5-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine is COCCNCCC(C)(C)CCc1cc(C)ccc1C.
What is the InChIKey of 5-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine?
The InChIKey is ACZRIXFKLFJNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-15-6-7-16(2)17(14-15)8-9-18(3,4)10-11-19-12-13-20-5/h6-7,14,19H,8-13H2,1-5H3.
What are the key properties of 5-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine?
5-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine is sourced from PubChem (CID 65304461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).