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

C22H22ClN — CID 67641931

IUPAC1-(4-chlorophenyl)-N-[(4-phenylphenyl)methyl]propan-2-amine
SMILESCC(Cc1ccc(Cl)cc1)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H22ClN/c1-17(15-18-9-13-22(23)14-10-18)24-16-19-7-11-21(12-8-19)20-5-3-2-4-6-20/h2-14,17,24H,15-16H2,1H3
InChIKeyXHGCYJGFVLYQQJ-UHFFFAOYSA-N
MW335.88 g/mol
LogP5.73
Rot. Bonds6

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

1-(4-chlorophenyl)-N-[(4-phenylphenyl)methyl]propan-2-amine (PubChem CID 67641931) has the molecular formula C22H22ClN and a molecular weight of 335.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(4-phenylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(4-phenylphenyl)methyl]propan-2-amine
PubChem CID67641931
Molecular FormulaC22H22ClN
Molecular Weight335.88 g/mol
Exact Mass335.14
IUPAC Name1-(4-chlorophenyl)-N-[(4-phenylphenyl)methyl]propan-2-amine
SMILESCC(Cc1ccc(Cl)cc1)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H22ClN/c1-17(15-18-9-13-22(23)14-10-18)24-16-19-7-11-21(12-8-19)20-5-3-2-4-6-20/h2-14,17,24H,15-16H2,1H3
InChIKeyXHGCYJGFVLYQQJ-UHFFFAOYSA-N
XLogP5.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.88
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 43677594
N-[(4-chlorophenyl)methyl]-4-methylpentan-2-amine
CID 21355577
N-methyl-1-(4-phenylphenyl)propan-2-amine
CID 82540674
N-[(4-phenylphenyl)methyl]pent-4-en-2-amine
CID 115633215
4-[2-(benzylamino)propyl]phenol;hydrobromide
CID 54609236
3-[(4-phenylphenyl)methylamino]butan-1-ol
CID 78998247
1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]benzene
CID 58699453
N-[[4-(difluoromethyl)phenyl]methyl]-1-phenylpropan-2-amine
CID 115523981
1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-2-amine
CID 43677587
1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 43677636
4-methoxy-N-[(4-phenylphenyl)methyl]butan-2-amine
CID 62734283
2-chloro-4-[(1-phenylpropan-2-ylamino)methyl]phenol
CID 63010391

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(4-phenylphenyl)methyl]propan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(4-phenylphenyl)methyl]propan-2-amine (CID 67641931) is 1-(4-chlorophenyl)-N-[(4-phenylphenyl)methyl]propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(4-phenylphenyl)methyl]propan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(4-phenylphenyl)methyl]propan-2-amine is CC(Cc1ccc(Cl)cc1)NCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(4-phenylphenyl)methyl]propan-2-amine?
The InChIKey is XHGCYJGFVLYQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN/c1-17(15-18-9-13-22(23)14-10-18)24-16-19-7-11-21(12-8-19)20-5-3-2-4-6-20/h2-14,17,24H,15-16H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(4-phenylphenyl)methyl]propan-2-amine?
1-(4-chlorophenyl)-N-[(4-phenylphenyl)methyl]propan-2-amine has a molecular weight of 335.88 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(4-phenylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 67641931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).