1-(2-methylphenyl)-N-propyldecan-3-amine

C20H35N — CID 105125070

IUPAC1-(2-methylphenyl)-N-propyldecan-3-amine
SMILESCCCCCCCC(CCc1ccccc1C)NCCC
InChIInChI=1S/C20H35N/c1-4-6-7-8-9-14-20(21-17-5-2)16-15-19-13-11-10-12-18(19)3/h10-13,20-21H,4-9,14-17H2,1-3H3
InChIKeyPVCRPLRMICBURI-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.66
Rot. Bonds12

About 1-(2-methylphenyl)-N-propyldecan-3-amine

1-(2-methylphenyl)-N-propyldecan-3-amine (PubChem CID 105125070) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-propyldecan-3-amine.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-propyldecan-3-amine
PubChem CID105125070
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name1-(2-methylphenyl)-N-propyldecan-3-amine
SMILESCCCCCCCC(CCc1ccccc1C)NCCC
InChIInChI=1S/C20H35N/c1-4-6-7-8-9-14-20(21-17-5-2)16-15-19-13-11-10-12-18(19)3/h10-13,20-21H,4-9,14-17H2,1-3H3
InChIKeyPVCRPLRMICBURI-UHFFFAOYSA-N
XLogP5.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2-methylphenyl)-N-propyldecan-3-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

1-(2-methylphenyl)-N-propyloct-7-en-3-amine
CID 105153242
N-ethyl-1-(2-methylphenyl)heptan-3-amine
CID 105125674
N-methyl-1-(2-methylphenyl)octan-3-amine
CID 105129664
1-(2-methylphenyl)-N-propyl-5-thiophen-2-ylpentan-3-amine
CID 105150378
N-[2-(2-methylphenyl)ethyl]heptan-4-amine
CID 79762422
4-(2-methylphenyl)-1-propoxy-N-propylbutan-2-amine
CID 105165477
N-ethyl-1-(2-methylphenyl)decan-2-amine
CID 63417244
1-(2,6-dimethylphenyl)-N-propylheptan-2-amine
CID 105024635
1-(2-methylphenyl)decan-3-ol
CID 105085012
4-(2-methylphenyl)-N-propyl-1-(1,3-thiazol-5-yl)butan-2-amine
CID 105178082
N-methyl-1-(2-methylphenyl)octan-2-amine
CID 62605223
1-(2-methylphenyl)sulfanyl-N-propylheptan-2-amine
CID 66098448

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-propyldecan-3-amine?
The IUPAC name of 1-(2-methylphenyl)-N-propyldecan-3-amine (CID 105125070) is 1-(2-methylphenyl)-N-propyldecan-3-amine.
What is the SMILES notation for 1-(2-methylphenyl)-N-propyldecan-3-amine?
The canonical SMILES for 1-(2-methylphenyl)-N-propyldecan-3-amine is CCCCCCCC(CCc1ccccc1C)NCCC.
What is the InChIKey of 1-(2-methylphenyl)-N-propyldecan-3-amine?
The InChIKey is PVCRPLRMICBURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-4-6-7-8-9-14-20(21-17-5-2)16-15-19-13-11-10-12-18(19)3/h10-13,20-21H,4-9,14-17H2,1-3H3.
What are the key properties of 1-(2-methylphenyl)-N-propyldecan-3-amine?
1-(2-methylphenyl)-N-propyldecan-3-amine has a molecular weight of 289.51 g/mol, XLogP of 5.66, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-propyldecan-3-amine is sourced from PubChem (CID 105125070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).