N-[(2-chloro-4-methylphenyl)methyl]-2-phenylpropan-1-amine

C17H20ClN — CID 106863140

IUPACN-[(2-chloro-4-methylphenyl)methyl]-2-phenylpropan-1-amine
SMILESCc1ccc(CNCC(C)c2ccccc2)c(Cl)c1
InChIInChI=1S/C17H20ClN/c1-13-8-9-16(17(18)10-13)12-19-11-14(2)15-6-4-3-5-7-15/h3-10,14,19H,11-12H2,1-2H3
InChIKeyXYDVQLNOBGMKRS-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.54
Rot. Bonds5

About N-[(2-chloro-4-methylphenyl)methyl]-2-phenylpropan-1-amine

N-[(2-chloro-4-methylphenyl)methyl]-2-phenylpropan-1-amine (PubChem CID 106863140) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is N-[(2-chloro-4-methylphenyl)methyl]-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-methylphenyl)methyl]-2-phenylpropan-1-amine
PubChem CID106863140
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC NameN-[(2-chloro-4-methylphenyl)methyl]-2-phenylpropan-1-amine
SMILESCc1ccc(CNCC(C)c2ccccc2)c(Cl)c1
InChIInChI=1S/C17H20ClN/c1-13-8-9-16(17(18)10-13)12-19-11-14(2)15-6-4-3-5-7-15/h3-10,14,19H,11-12H2,1-2H3
InChIKeyXYDVQLNOBGMKRS-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-[(2,4-dimethylphenyl)methyl]-3-phenylbutan-1-amine
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1-(2-chloro-4-methylphenyl)-N-[(2-ethylphenyl)methyl]methanamine
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N-[(2,5-dimethylthiophen-3-yl)methyl]-2-phenylpropan-1-amine
CID 54977569
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
4-[(2-chloro-4-methylphenyl)methylamino]butan-2-ol
CID 106862742
N-[(5-chloro-2-methoxyphenyl)methyl]-2-phenylpropan-1-amine
CID 60695260
2-bromo-N-[(2-chloro-4-methylphenyl)methyl]ethanamine
CID 106869920
1-(2-chloro-4-methylphenyl)-N-[(3-methylphenyl)methyl]methanamine
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2-[(2-chloro-4-methylphenyl)methylamino]acetic acid
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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]-2-phenylpropan-1-amine?
The IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]-2-phenylpropan-1-amine (CID 106863140) is N-[(2-chloro-4-methylphenyl)methyl]-2-phenylpropan-1-amine.
What is the SMILES notation for N-[(2-chloro-4-methylphenyl)methyl]-2-phenylpropan-1-amine?
The canonical SMILES for N-[(2-chloro-4-methylphenyl)methyl]-2-phenylpropan-1-amine is Cc1ccc(CNCC(C)c2ccccc2)c(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-methylphenyl)methyl]-2-phenylpropan-1-amine?
The InChIKey is XYDVQLNOBGMKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-13-8-9-16(17(18)10-13)12-19-11-14(2)15-6-4-3-5-7-15/h3-10,14,19H,11-12H2,1-2H3.
What are the key properties of N-[(2-chloro-4-methylphenyl)methyl]-2-phenylpropan-1-amine?
N-[(2-chloro-4-methylphenyl)methyl]-2-phenylpropan-1-amine has a molecular weight of 273.81 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methylphenyl)methyl]-2-phenylpropan-1-amine is sourced from PubChem (CID 106863140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).