N-[[3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine

C19H25N — CID 63424520

IUPACN-[[3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(-c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C19H25N/c1-5-9-20-13-17-7-6-8-18(12-17)19-15(3)10-14(2)11-16(19)4/h6-8,10-12,20H,5,9,13H2,1-4H3
InChIKeyHAZXRYHBYJMBTP-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.78
Rot. Bonds5

About N-[[3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine

N-[[3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine (PubChem CID 63424520) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[[3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine
PubChem CID63424520
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-[[3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(-c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C19H25N/c1-5-9-20-13-17-7-6-8-18(12-17)19-15(3)10-14(2)11-16(19)4/h6-8,10-12,20H,5,9,13H2,1-4H3
InChIKeyHAZXRYHBYJMBTP-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[[3-(2,4,6-trimethylphenyl)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-trichlorophenyl)phenyl]methyl]propan-1-amine
CID 105350076
N-[[3-(2,3,5,6-tetrachlorophenyl)phenyl]methyl]propan-1-amine
CID 63424827
N-[[3-(2,3-dimethylphenyl)phenyl]methyl]propan-1-amine
CID 63424448
N-[[4-fluoro-3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine
CID 63425094
N-[[3-(3-chlorothiophen-2-yl)phenyl]methyl]propan-1-amine
CID 107360611
N-[[3-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine
CID 61034428
N-[[3-(3,5-dimethylphenoxy)phenyl]methyl]propan-1-amine
CID 63942115
N-[[4-(3-propylphenyl)phenyl]methyl]propan-1-amine
CID 116545296
3-(propylaminomethyl)phenol
CID 10725714
N-[(3-phenylphenyl)methyl]butan-1-amine
CID 143730609
N-[[3-(2,3-dihydro-1H-inden-5-yl)phenyl]methyl]propan-1-amine
CID 63428115
N-[[3-(2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 54911743

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine (CID 63424520) is N-[[3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine is CCCNCc1cccc(-c2c(C)cc(C)cc2C)c1.
What is the InChIKey of N-[[3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine?
The InChIKey is HAZXRYHBYJMBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-5-9-20-13-17-7-6-8-18(12-17)19-15(3)10-14(2)11-16(19)4/h6-8,10-12,20H,5,9,13H2,1-4H3.
What are the key properties of N-[[3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine?
N-[[3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 63424520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).