N-methyl-1-(3-propylphenyl)ethanamine

C12H19N — CID 59900502

IUPACN-methyl-1-(3-propylphenyl)ethanamine
SMILESCCCc1cccc(C(C)NC)c1
InChIInChI=1S/C12H19N/c1-4-6-11-7-5-8-12(9-11)10(2)13-3/h5,7-10,13H,4,6H2,1-3H3
InChIKeyVHRQDRJCVNNCGG-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.92
Rot. Bonds4

About N-methyl-1-(3-propylphenyl)ethanamine

N-methyl-1-(3-propylphenyl)ethanamine (PubChem CID 59900502) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-methyl-1-(3-propylphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(3-propylphenyl)ethanamine
PubChem CID59900502
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-methyl-1-(3-propylphenyl)ethanamine
SMILESCCCc1cccc(C(C)NC)c1
InChIInChI=1S/C12H19N/c1-4-6-11-7-5-8-12(9-11)10(2)13-3/h5,7-10,13H,4,6H2,1-3H3
InChIKeyVHRQDRJCVNNCGG-UHFFFAOYSA-N
XLogP2.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-methyl-1-(3-propylphenyl)ethanamine 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-methyl-1-[3-(3-propylphenyl)phenyl]ethanamine
CID 116545342
N-methyl-1-[3-(3-methylbutyl)phenyl]ethanamine
CID 59900479
N-[1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544021
N-methyl-1-[3-(2-methylpentyl)phenyl]ethanamine
CID 123206397
N-methyl-1-(4-propan-2-ylphenyl)-1-(3-propylphenyl)methanamine
CID 116543873
1-(3-propylphenyl)ethanamine
CID 116543909
N,2-dimethyl-3-(3-propylphenyl)butan-1-amine
CID 116546425
2-[3-[(1S)-1-(methylamino)ethyl]phenyl]acetonitrile
CID 130742207
1-(3-chlorobutan-2-yl)-3-propylbenzene
CID 116545543
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
2-(3-propylphenyl)propanal
CID 105436614
N-ethyl-2-methyl-3-(3-propylphenyl)butan-1-amine
CID 116546427

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-propylphenyl)ethanamine?
The IUPAC name of N-methyl-1-(3-propylphenyl)ethanamine (CID 59900502) is N-methyl-1-(3-propylphenyl)ethanamine.
What is the SMILES notation for N-methyl-1-(3-propylphenyl)ethanamine?
The canonical SMILES for N-methyl-1-(3-propylphenyl)ethanamine is CCCc1cccc(C(C)NC)c1.
What is the InChIKey of N-methyl-1-(3-propylphenyl)ethanamine?
The InChIKey is VHRQDRJCVNNCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-4-6-11-7-5-8-12(9-11)10(2)13-3/h5,7-10,13H,4,6H2,1-3H3.
What are the key properties of N-methyl-1-(3-propylphenyl)ethanamine?
N-methyl-1-(3-propylphenyl)ethanamine has a molecular weight of 177.29 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-propylphenyl)ethanamine is sourced from PubChem (CID 59900502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).