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

C17H20ClN — CID 55193502

IUPACN-[(4-chlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine
SMILESCC(C)(CNCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H20ClN/c1-17(2,15-6-4-3-5-7-15)13-19-12-14-8-10-16(18)11-9-14/h3-11,19H,12-13H2,1-2H3
InChIKeyQDERBSMVTKXBSQ-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.41
Rot. Bonds5

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

N-[(4-chlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine (PubChem CID 55193502) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine
PubChem CID55193502
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC NameN-[(4-chlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine
SMILESCC(C)(CNCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H20ClN/c1-17(2,15-6-4-3-5-7-15)13-19-12-14-8-10-16(18)11-9-14/h3-11,19H,12-13H2,1-2H3
InChIKeyQDERBSMVTKXBSQ-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 63452100
N-[[4-(difluoromethyl)phenyl]methyl]-2-methyl-2-phenylpropan-1-amine
CID 115523845
1-[(4-chlorophenyl)methylamino]-2-methylpropan-2-ol
CID 60885282
1-N-[(4-chlorophenyl)methyl]-2-methylpropane-1,2-diamine
CID 115135848
N-[(2,3-dichlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 63451747
N-[(4-chlorophenyl)methyl]-2,2-dimethylbutane-1,4-diamine
CID 115204388
N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 78871095
3-[(4-chlorophenyl)methylamino]-2-hydroxy-2-methylpropanoic acid
CID 104643847
[[2-(4-chlorophenyl)-2-methylpropyl]amino]methanol
CID 115229593
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine
CID 54886659
N'-[2-(4-chlorophenyl)-2-methylpropyl]-N-methylethane-1,2-diamine
CID 115196146
5-methyl-4-[[(2-methyl-2-phenylpropyl)amino]methyl]furan-2-carboxylic acid
CID 103240937

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine (CID 55193502) is N-[(4-chlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine is CC(C)(CNCc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine?
The InChIKey is QDERBSMVTKXBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-17(2,15-6-4-3-5-7-15)13-19-12-14-8-10-16(18)11-9-14/h3-11,19H,12-13H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine?
N-[(4-chlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine has a molecular weight of 273.81 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine is sourced from PubChem (CID 55193502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).