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

C19H24ClN — CID 63451971

IUPACN-[1-(4-chlorophenyl)propyl]-2-methyl-2-phenylpropan-1-amine
SMILESCCC(NCC(C)(C)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H24ClN/c1-4-18(15-10-12-17(20)13-11-15)21-14-19(2,3)16-8-6-5-7-9-16/h5-13,18,21H,4,14H2,1-3H3
InChIKeyWTHCGKIPBFSWEK-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.36
Rot. Bonds6

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

N-[1-(4-chlorophenyl)propyl]-2-methyl-2-phenylpropan-1-amine (PubChem CID 63451971) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propyl]-2-methyl-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propyl]-2-methyl-2-phenylpropan-1-amine
PubChem CID63451971
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC NameN-[1-(4-chlorophenyl)propyl]-2-methyl-2-phenylpropan-1-amine
SMILESCCC(NCC(C)(C)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H24ClN/c1-4-18(15-10-12-17(20)13-11-15)21-14-19(2,3)16-8-6-5-7-9-16/h5-13,18,21H,4,14H2,1-3H3
InChIKeyWTHCGKIPBFSWEK-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

1-[1-(4-chlorophenyl)propylamino]-2-methylbutan-2-ol
CID 65108429
2-phenyl-1-(1-phenylpropylamino)propan-2-ol
CID 62374681
3-[1-(4-chlorophenyl)propylamino]-2-methylpropane-1,2-diol
CID 66169648
2-methyl-2-phenyl-N-(1-thiophen-2-ylpropyl)propan-1-amine
CID 54886658
1-(4-chlorophenyl)-2-(1-phenylpropylamino)ethanol
CID 62304367
2-methyl-1-[[(1R)-1-phenylpropyl]amino]propan-2-ol
CID 94396195
N-[1-(4-chlorophenyl)propyl]-3,3,3-trifluoropropan-1-amine
CID 55175519
(2R)-2-[(2-methyl-2-phenylpropyl)amino]butan-1-ol
CID 103924317
N-[(4-chlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 55193502
N-[1-(4-iodophenyl)ethyl]-2-methyl-2-phenylpropan-1-amine
CID 63451569
(2R)-1-[1-(4-chlorophenyl)propylamino]propan-2-ol
CID 103906772
(2R)-2-[(2-methyl-2-phenylpropyl)amino]propan-1-ol
CID 103912755

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propyl]-2-methyl-2-phenylpropan-1-amine?
The IUPAC name of N-[1-(4-chlorophenyl)propyl]-2-methyl-2-phenylpropan-1-amine (CID 63451971) is N-[1-(4-chlorophenyl)propyl]-2-methyl-2-phenylpropan-1-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)propyl]-2-methyl-2-phenylpropan-1-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)propyl]-2-methyl-2-phenylpropan-1-amine is CCC(NCC(C)(C)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propyl]-2-methyl-2-phenylpropan-1-amine?
The InChIKey is WTHCGKIPBFSWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-4-18(15-10-12-17(20)13-11-15)21-14-19(2,3)16-8-6-5-7-9-16/h5-13,18,21H,4,14H2,1-3H3.
What are the key properties of N-[1-(4-chlorophenyl)propyl]-2-methyl-2-phenylpropan-1-amine?
N-[1-(4-chlorophenyl)propyl]-2-methyl-2-phenylpropan-1-amine has a molecular weight of 301.86 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propyl]-2-methyl-2-phenylpropan-1-amine is sourced from PubChem (CID 63451971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).