N-benzyl-1-(4-chlorophenyl)-2-methylpropan-2-amine

C17H20ClN — CID 134123288

IUPACN-benzyl-1-(4-chlorophenyl)-2-methylpropan-2-amine
SMILESCC(C)(Cc1ccc(Cl)cc1)NCc1ccccc1
InChIInChI=1S/C17H20ClN/c1-17(2,12-14-8-10-16(18)11-9-14)19-13-15-6-4-3-5-7-15/h3-11,19H,12-13H2,1-2H3
InChIKeyHWBQLIJVMBNEQS-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.45
Rot. Bonds5

About N-benzyl-1-(4-chlorophenyl)-2-methylpropan-2-amine

N-benzyl-1-(4-chlorophenyl)-2-methylpropan-2-amine (PubChem CID 134123288) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is N-benzyl-1-(4-chlorophenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-benzyl-1-(4-chlorophenyl)-2-methylpropan-2-amine
PubChem CID134123288
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC NameN-benzyl-1-(4-chlorophenyl)-2-methylpropan-2-amine
SMILESCC(C)(Cc1ccc(Cl)cc1)NCc1ccccc1
InChIInChI=1S/C17H20ClN/c1-17(2,12-14-8-10-16(18)11-9-14)19-13-15-6-4-3-5-7-15/h3-11,19H,12-13H2,1-2H3
InChIKeyHWBQLIJVMBNEQS-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-benzyl-1-(4-chlorophenyl)-2-methylpropan-2-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

3-methyl-3-N-[(4-phenylphenyl)methyl]butane-1,3-diamine
CID 115134703
N-benzyl-4-chloroaniline chloride
CID 45109713
N-benzyl-1-[3-[2-(tert-butylamino)ethyl]phenyl]-2-methylpropan-2-amine
CID 130410543
N-[(4-chlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 55193502
N-[(4-chlorophenyl)methyl]-1,1,1-trifluoromethanamine
CID 71648881
2-(benzylamino)-1-(4-chlorophenyl)sulfinylpropan-2-ol
CID 169101346
2-(benzylamino)-2-(4-chlorophenyl)butan-1-ol
CID 61045994
N-(2-methyl-1-phenylpropan-2-yl)octadecan-1-amine
CID 19865267
3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-1-ol
CID 110174091
1-chloro-4-(2-chloro-2-methylpropyl)benzene
CID 82026569
2-(4-chlorophenoxy)-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 84568280
N-benzyl-1-(4-chlorophenyl)-1-phenylprop-2-en-1-amine
CID 177415024

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-chlorophenyl)-2-methylpropan-2-amine?
The IUPAC name of N-benzyl-1-(4-chlorophenyl)-2-methylpropan-2-amine (CID 134123288) is N-benzyl-1-(4-chlorophenyl)-2-methylpropan-2-amine.
What is the SMILES notation for N-benzyl-1-(4-chlorophenyl)-2-methylpropan-2-amine?
The canonical SMILES for N-benzyl-1-(4-chlorophenyl)-2-methylpropan-2-amine is CC(C)(Cc1ccc(Cl)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-1-(4-chlorophenyl)-2-methylpropan-2-amine?
The InChIKey is HWBQLIJVMBNEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-17(2,12-14-8-10-16(18)11-9-14)19-13-15-6-4-3-5-7-15/h3-11,19H,12-13H2,1-2H3.
What are the key properties of N-benzyl-1-(4-chlorophenyl)-2-methylpropan-2-amine?
N-benzyl-1-(4-chlorophenyl)-2-methylpropan-2-amine has a molecular weight of 273.81 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-chlorophenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 134123288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).