N-[[3-(2,3-dimethylphenyl)phenyl]methyl]propan-1-amine

C18H23N — CID 63424448

IUPACN-[[3-(2,3-dimethylphenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(-c2cccc(C)c2C)c1
InChIInChI=1S/C18H23N/c1-4-11-19-13-16-8-6-9-17(12-16)18-10-5-7-14(2)15(18)3/h5-10,12,19H,4,11,13H2,1-3H3
InChIKeyYIOQWYBSBDMOIT-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.47
Rot. Bonds5

About N-[[3-(2,3-dimethylphenyl)phenyl]methyl]propan-1-amine

N-[[3-(2,3-dimethylphenyl)phenyl]methyl]propan-1-amine (PubChem CID 63424448) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[[3-(2,3-dimethylphenyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(2,3-dimethylphenyl)phenyl]methyl]propan-1-amine
PubChem CID63424448
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-[[3-(2,3-dimethylphenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(-c2cccc(C)c2C)c1
InChIInChI=1S/C18H23N/c1-4-11-19-13-16-8-6-9-17(12-16)18-10-5-7-14(2)15(18)3/h5-10,12,19H,4,11,13H2,1-3H3
InChIKeyYIOQWYBSBDMOIT-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[[3-(2,3-dimethylphenyl)phenyl]methyl]propan-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-[[3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine
CID 63424520
N-[[3-(2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 54911743
N-[[3-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine
CID 61034428
N-[[3-(2,3-dimethylphenyl)-4-methylphenyl]methyl]ethanamine
CID 105408635
N-[[3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine
CID 66022276
N-[[3-(2,4,6-trichlorophenyl)phenyl]methyl]propan-1-amine
CID 105350076
N-[[3-(2,4-dimethoxyphenyl)phenyl]methyl]propan-1-amine
CID 61034037
N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]ethanamine
CID 107514099
N-[[3-(2,3,5,6-tetrachlorophenyl)phenyl]methyl]propan-1-amine
CID 63424827
N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]propan-1-amine
CID 81447432
N-[[4-(3-propylphenyl)phenyl]methyl]propan-1-amine
CID 116545296
N-[[3-[(2-methylphenyl)methylsulfanyl]phenyl]methyl]propan-1-amine
CID 66349028

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,3-dimethylphenyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(2,3-dimethylphenyl)phenyl]methyl]propan-1-amine (CID 63424448) is N-[[3-(2,3-dimethylphenyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(2,3-dimethylphenyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(2,3-dimethylphenyl)phenyl]methyl]propan-1-amine is CCCNCc1cccc(-c2cccc(C)c2C)c1.
What is the InChIKey of N-[[3-(2,3-dimethylphenyl)phenyl]methyl]propan-1-amine?
The InChIKey is YIOQWYBSBDMOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-4-11-19-13-16-8-6-9-17(12-16)18-10-5-7-14(2)15(18)3/h5-10,12,19H,4,11,13H2,1-3H3.
What are the key properties of N-[[3-(2,3-dimethylphenyl)phenyl]methyl]propan-1-amine?
N-[[3-(2,3-dimethylphenyl)phenyl]methyl]propan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,3-dimethylphenyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 63424448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).