N-methyl-2-(3-methylphenyl)-2-octan-2-yloxyethanamine

C18H31NO — CID 63476257

IUPACN-methyl-2-(3-methylphenyl)-2-octan-2-yloxyethanamine
SMILESCCCCCCC(C)OC(CNC)c1cccc(C)c1
InChIInChI=1S/C18H31NO/c1-5-6-7-8-11-16(3)20-18(14-19-4)17-12-9-10-15(2)13-17/h9-10,12-13,16,18-19H,5-8,11,14H2,1-4H3
InChIKeyWBMCXWRTCARYMO-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.63
Rot. Bonds10

About N-methyl-2-(3-methylphenyl)-2-octan-2-yloxyethanamine

N-methyl-2-(3-methylphenyl)-2-octan-2-yloxyethanamine (PubChem CID 63476257) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-methyl-2-(3-methylphenyl)-2-octan-2-yloxyethanamine.

Molecular Properties

Compound NameN-methyl-2-(3-methylphenyl)-2-octan-2-yloxyethanamine
PubChem CID63476257
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-methyl-2-(3-methylphenyl)-2-octan-2-yloxyethanamine
SMILESCCCCCCC(C)OC(CNC)c1cccc(C)c1
InChIInChI=1S/C18H31NO/c1-5-6-7-8-11-16(3)20-18(14-19-4)17-12-9-10-15(2)13-17/h9-10,12-13,16,18-19H,5-8,11,14H2,1-4H3
InChIKeyWBMCXWRTCARYMO-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.63
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

2-(4-methoxyphenyl)-N-methyl-2-octan-2-yloxyethanamine
CID 62108868
N-methyl-1-(3-methylphenyl)decan-1-amine
CID 55186614
2-(3-methylphenyl)-N-propyloctan-1-amine
CID 79416667
2-(3-fluorophenyl)-2-octan-2-yloxyethanamine
CID 55020696
1-(3-methylphenyl)decan-1-ol
CID 63411280
2-butan-2-yloxy-2-(3-fluorophenyl)-N-methylethanamine
CID 62107675
N-[2-(1-ethoxypropan-2-yloxy)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 103490209
1-[1-(disulfanyl)hexyl]-3-methylbenzene
CID 166830915
1-decan-2-yloxyethylbenzene
CID 102455455
2-(3-methylphenyl)undecan-1-ol
CID 79417930
1-(1-chloroundecan-2-yl)-3-methylbenzene
CID 79416854
N-[1-(3-methylphenyl)ethyl]hexan-1-amine
CID 43769677

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methylphenyl)-2-octan-2-yloxyethanamine?
The IUPAC name of N-methyl-2-(3-methylphenyl)-2-octan-2-yloxyethanamine (CID 63476257) is N-methyl-2-(3-methylphenyl)-2-octan-2-yloxyethanamine.
What is the SMILES notation for N-methyl-2-(3-methylphenyl)-2-octan-2-yloxyethanamine?
The canonical SMILES for N-methyl-2-(3-methylphenyl)-2-octan-2-yloxyethanamine is CCCCCCC(C)OC(CNC)c1cccc(C)c1.
What is the InChIKey of N-methyl-2-(3-methylphenyl)-2-octan-2-yloxyethanamine?
The InChIKey is WBMCXWRTCARYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-5-6-7-8-11-16(3)20-18(14-19-4)17-12-9-10-15(2)13-17/h9-10,12-13,16,18-19H,5-8,11,14H2,1-4H3.
What are the key properties of N-methyl-2-(3-methylphenyl)-2-octan-2-yloxyethanamine?
N-methyl-2-(3-methylphenyl)-2-octan-2-yloxyethanamine has a molecular weight of 277.45 g/mol, XLogP of 4.63, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methylphenyl)-2-octan-2-yloxyethanamine is sourced from PubChem (CID 63476257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).