2,2-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine

C17H29NO3 — CID 103460607

IUPAC2,2-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine
SMILESCCC(C)(C)CNC(C)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C17H29NO3/c1-8-17(3,4)11-18-12(2)13-9-14(19-5)16(21-7)15(10-13)20-6/h9-10,12,18H,8,11H2,1-7H3
InChIKeyWAMJKKYQMGQYES-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.80
Rot. Bonds8

About 2,2-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine

2,2-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine (PubChem CID 103460607) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine
PubChem CID103460607
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2,2-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine
SMILESCCC(C)(C)CNC(C)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C17H29NO3/c1-8-17(3,4)11-18-12(2)13-9-14(19-5)16(21-7)15(10-13)20-6/h9-10,12,18H,8,11H2,1-7H3
InChIKeyWAMJKKYQMGQYES-UHFFFAOYSA-N
XLogP3.80
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine 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

2-methyl-1-[1-(3,4,5-trimethoxyphenyl)ethylamino]propan-2-ol
CID 63239416
N-[1-(3,4,5-trimethoxyphenyl)ethyl]pentan-1-amine
CID 43363394
2,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine
CID 64568461
N-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-yn-1-amine
CID 43363384
N-ethoxy-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 82710078
(1R)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 95180732
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 47616721
N-[1-(3,4,5-trimethoxyphenyl)ethyl]hydroxylamine
CID 82684824
N-[1-(3,4,5-trimethoxyphenyl)ethyl]pentan-2-amine
CID 43173534
2,2-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine
CID 103460601
N-[(4-methoxyphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 119126875
2,2-dimethyl-N-(1-pyridin-4-ylethyl)butan-1-amine
CID 103460442

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine (CID 103460607) is 2,2-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine is CCC(C)(C)CNC(C)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 2,2-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine?
The InChIKey is WAMJKKYQMGQYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-8-17(3,4)11-18-12(2)13-9-14(19-5)16(21-7)15(10-13)20-6/h9-10,12,18H,8,11H2,1-7H3.
What are the key properties of 2,2-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine?
2,2-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine has a molecular weight of 295.42 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine is sourced from PubChem (CID 103460607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).