N-(dicyclopropylmethyl)-2-(3-methylphenyl)ethanamine

C16H23N — CID 55062566

IUPACN-(dicyclopropylmethyl)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CCNC(C2CC2)C2CC2)c1
InChIInChI=1S/C16H23N/c1-12-3-2-4-13(11-12)9-10-17-16(14-5-6-14)15-7-8-15/h2-4,11,14-17H,5-10H2,1H3
InChIKeyYXCBQARMXQLKPW-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.32
Rot. Bonds6

About N-(dicyclopropylmethyl)-2-(3-methylphenyl)ethanamine

N-(dicyclopropylmethyl)-2-(3-methylphenyl)ethanamine (PubChem CID 55062566) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-(3-methylphenyl)ethanamine
PubChem CID55062566
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-(dicyclopropylmethyl)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CCNC(C2CC2)C2CC2)c1
InChIInChI=1S/C16H23N/c1-12-3-2-4-13(11-12)9-10-17-16(14-5-6-14)15-7-8-15/h2-4,11,14-17H,5-10H2,1H3
InChIKeyYXCBQARMXQLKPW-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(dicyclopropylmethyl)-2-(3-methylphenyl)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-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62315169
1-(1-ethylpiperidin-4-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62315357
3-methyl-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 62312988
N-[2-(3-methylphenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091130
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
N-cyclohexyl-2-[2-(3-methylphenyl)ethylamino]propanamide
CID 62313383
N-[cyclopentyl(thiophen-2-yl)methyl]-2-(3-methylphenyl)ethanamine
CID 63478842
1,1-difluoro-N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 102869472
N-(2-cyclopropylpropyl)-4-(3-methylphenyl)butan-2-amine
CID 113475005
N-[2-(3-methylphenyl)ethyl]but-3-en-2-amine
CID 107906880
1-methoxy-N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62536445
4-methyl-N-[2-(3-methylphenyl)ethyl]cyclohexan-1-amine
CID 62313168

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-(3-methylphenyl)ethanamine?
The IUPAC name of N-(dicyclopropylmethyl)-2-(3-methylphenyl)ethanamine (CID 55062566) is N-(dicyclopropylmethyl)-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-(3-methylphenyl)ethanamine?
The canonical SMILES for N-(dicyclopropylmethyl)-2-(3-methylphenyl)ethanamine is Cc1cccc(CCNC(C2CC2)C2CC2)c1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-(3-methylphenyl)ethanamine?
The InChIKey is YXCBQARMXQLKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-12-3-2-4-13(11-12)9-10-17-16(14-5-6-14)15-7-8-15/h2-4,11,14-17H,5-10H2,1H3.
What are the key properties of N-(dicyclopropylmethyl)-2-(3-methylphenyl)ethanamine?
N-(dicyclopropylmethyl)-2-(3-methylphenyl)ethanamine has a molecular weight of 229.37 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 55062566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).