2-methyl-N-[3-(4-phenylphenyl)propyl]propan-1-amine

C19H25N — CID 65454764

IUPAC2-methyl-N-[3-(4-phenylphenyl)propyl]propan-1-amine
SMILESCC(C)CNCCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H25N/c1-16(2)15-20-14-6-7-17-10-12-19(13-11-17)18-8-4-3-5-9-18/h3-5,8-13,16,20H,6-7,14-15H2,1-2H3
InChIKeyXOVNVVSUUIOWAQ-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.53
Rot. Bonds7

About 2-methyl-N-[3-(4-phenylphenyl)propyl]propan-1-amine

2-methyl-N-[3-(4-phenylphenyl)propyl]propan-1-amine (PubChem CID 65454764) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-methyl-N-[3-(4-phenylphenyl)propyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(4-phenylphenyl)propyl]propan-1-amine
PubChem CID65454764
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name2-methyl-N-[3-(4-phenylphenyl)propyl]propan-1-amine
SMILESCC(C)CNCCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H25N/c1-16(2)15-20-14-6-7-17-10-12-19(13-11-17)18-8-4-3-5-9-18/h3-5,8-13,16,20H,6-7,14-15H2,1-2H3
InChIKeyXOVNVVSUUIOWAQ-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-tert-butylphenyl)propyl]-2-methylpropan-1-amine
CID 63498667
2-chloro-N-(3-phenylpropyl)propan-1-amine
CID 65024000
N-[3-(2-methylpropylamino)propyl]-N'-[[4-[3-[4-[[3-[3-(2-methylpropylamino)propylamino]propylamino]methyl]phenyl]phenyl]phenyl]methyl]propane-1,3-diamine
CID 142450447
5-(4-butylphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 65300670
N-[3-(2-chlorophenyl)propyl]-2-methylpropan-1-amine
CID 62531246
2-phenyl-N-(3-phenylpropyl)propan-1-amine;hydrochloride
CID 13011907
2-methyl-N-[3-(4-nitrophenyl)propyl]propan-1-amine
CID 62549184
N-[3-(2-methylpropylamino)propyl]-N'-[[3-[[4-[3-(2-methylpropylamino)propylamino]butylamino]methyl]-5-phenylphenyl]methyl]butane-1,4-diamine;hydrochloride
CID 175763689
2-methyl-N-[2-(4-methylphenyl)ethyl]propan-1-amine
CID 60983758
2-methyl-N-[3-(3-methylphenyl)propyl]propan-1-amine
CID 62367422
2-methyl-N-(4-phenylbutyl)butan-1-amine
CID 115887248
2-methyl-3-(4-phenylbutylamino)propanoic acid
CID 174412747

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(4-phenylphenyl)propyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[3-(4-phenylphenyl)propyl]propan-1-amine (CID 65454764) is 2-methyl-N-[3-(4-phenylphenyl)propyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[3-(4-phenylphenyl)propyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[3-(4-phenylphenyl)propyl]propan-1-amine is CC(C)CNCCCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-methyl-N-[3-(4-phenylphenyl)propyl]propan-1-amine?
The InChIKey is XOVNVVSUUIOWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-16(2)15-20-14-6-7-17-10-12-19(13-11-17)18-8-4-3-5-9-18/h3-5,8-13,16,20H,6-7,14-15H2,1-2H3.
What are the key properties of 2-methyl-N-[3-(4-phenylphenyl)propyl]propan-1-amine?
2-methyl-N-[3-(4-phenylphenyl)propyl]propan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(4-phenylphenyl)propyl]propan-1-amine is sourced from PubChem (CID 65454764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).