N,3-diethyl-1-(3-methoxy-4-methylphenyl)pentan-1-amine

C17H29NO — CID 105028177

IUPACN,3-diethyl-1-(3-methoxy-4-methylphenyl)pentan-1-amine
SMILESCCNC(CC(CC)CC)c1ccc(C)c(OC)c1
InChIInChI=1S/C17H29NO/c1-6-14(7-2)11-16(18-8-3)15-10-9-13(4)17(12-15)19-5/h9-10,12,14,16,18H,6-8,11H2,1-5H3
InChIKeyQAJCIOIOEURKOF-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.48
Rot. Bonds8

About N,3-diethyl-1-(3-methoxy-4-methylphenyl)pentan-1-amine

N,3-diethyl-1-(3-methoxy-4-methylphenyl)pentan-1-amine (PubChem CID 105028177) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N,3-diethyl-1-(3-methoxy-4-methylphenyl)pentan-1-amine.

Molecular Properties

Compound NameN,3-diethyl-1-(3-methoxy-4-methylphenyl)pentan-1-amine
PubChem CID105028177
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN,3-diethyl-1-(3-methoxy-4-methylphenyl)pentan-1-amine
SMILESCCNC(CC(CC)CC)c1ccc(C)c(OC)c1
InChIInChI=1S/C17H29NO/c1-6-14(7-2)11-16(18-8-3)15-10-9-13(4)17(12-15)19-5/h9-10,12,14,16,18H,6-8,11H2,1-5H3
InChIKeyQAJCIOIOEURKOF-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,3-diethyl-1-(3-methoxy-4-methylphenyl)pentan-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

N-ethyl-1-(3-methoxy-4-methylphenyl)-3-methylbutan-1-amine
CID 115782382
N-ethyl-1-(3-methoxy-4-methylphenyl)but-3-yn-1-amine
CID 114977449
N-ethyl-1-(3-methoxy-4-methylphenyl)-4-methylpent-4-en-1-amine
CID 105039454
N-ethyl-1-(3-methoxy-4-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 62389756
[3-ethyl-1-(3-methoxy-4-methylphenyl)heptyl]hydrazine
CID 105288242
2-(2-bromophenyl)-N-ethyl-1-(3-methoxy-4-methylphenyl)ethanamine
CID 115787144
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
N,3-diethyl-1-(3-methylphenyl)pentan-1-amine
CID 82922212
1-(3-bromo-4-fluorophenyl)-N,3-diethylpentan-1-amine
CID 82922197
N-ethyl-1-(3-methoxy-4-methylphenyl)prop-2-en-1-amine
CID 105000819
N-[(3-methoxy-4-methylphenyl)-phenylmethyl]ethanamine
CID 43489086
N-ethyl-1-(3-methoxy-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025440

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-1-(3-methoxy-4-methylphenyl)pentan-1-amine?
The IUPAC name of N,3-diethyl-1-(3-methoxy-4-methylphenyl)pentan-1-amine (CID 105028177) is N,3-diethyl-1-(3-methoxy-4-methylphenyl)pentan-1-amine.
What is the SMILES notation for N,3-diethyl-1-(3-methoxy-4-methylphenyl)pentan-1-amine?
The canonical SMILES for N,3-diethyl-1-(3-methoxy-4-methylphenyl)pentan-1-amine is CCNC(CC(CC)CC)c1ccc(C)c(OC)c1.
What is the InChIKey of N,3-diethyl-1-(3-methoxy-4-methylphenyl)pentan-1-amine?
The InChIKey is QAJCIOIOEURKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-14(7-2)11-16(18-8-3)15-10-9-13(4)17(12-15)19-5/h9-10,12,14,16,18H,6-8,11H2,1-5H3.
What are the key properties of N,3-diethyl-1-(3-methoxy-4-methylphenyl)pentan-1-amine?
N,3-diethyl-1-(3-methoxy-4-methylphenyl)pentan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-1-(3-methoxy-4-methylphenyl)pentan-1-amine is sourced from PubChem (CID 105028177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).