2-[(4-chlorophenyl)methyl]-2-phenylbutan-1-amine

C17H20ClN — CID 55106585

IUPAC2-[(4-chlorophenyl)methyl]-2-phenylbutan-1-amine
SMILESCCC(CN)(Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H20ClN/c1-2-17(13-19,15-6-4-3-5-7-15)12-14-8-10-16(18)11-9-14/h3-11H,2,12-13,19H2,1H3
InChIKeyUBCQRJFMIJMFBB-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.19
Rot. Bonds5

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

2-[(4-chlorophenyl)methyl]-2-phenylbutan-1-amine (PubChem CID 55106585) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-2-phenylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-2-phenylbutan-1-amine
PubChem CID55106585
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name2-[(4-chlorophenyl)methyl]-2-phenylbutan-1-amine
SMILESCCC(CN)(Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H20ClN/c1-2-17(13-19,15-6-4-3-5-7-15)12-14-8-10-16(18)11-9-14/h3-11H,2,12-13,19H2,1H3
InChIKeyUBCQRJFMIJMFBB-UHFFFAOYSA-N
XLogP4.19
TPSA26.02 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 ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-methylphenyl)methyl]-2-phenylbutan-1-amine
CID 55106632
2-[(3,4-dichlorophenyl)methyl]-2-phenylbutan-1-amine
CID 63523051
2-[(2-chloro-6-fluorophenyl)methyl]-2-phenylbutan-1-amine
CID 63523052
(2S)-1-(4-chlorophenyl)-2-phenylbutan-2-ol
CID 93325474
2-[(1-ethylpyrazol-4-yl)methyl]-2-phenylbutan-1-amine
CID 62723308
2-benzyl-3-methoxy-2-phenylpropan-1-amine
CID 139652108
2-phenyl-2-(trimethylsilylmethyl)butan-1-amine
CID 106323367
2-(aminomethyl)-3-(4-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 106507025
3-(4-chlorophenyl)-2,2-diphenylpropanenitrile
CID 2442406
1-[2-(bromomethyl)-2-phenylbutyl]-3-chlorobenzene
CID 66048066
2-[(2,5-dimethylphenyl)methyl]-2-phenylbutan-1-amine
CID 63522869
1-chloro-4-(2-methoxy-2-phenylpropyl)benzene
CID 132540002

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-2-phenylbutan-1-amine?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-2-phenylbutan-1-amine (CID 55106585) is 2-[(4-chlorophenyl)methyl]-2-phenylbutan-1-amine.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-2-phenylbutan-1-amine?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-2-phenylbutan-1-amine is CCC(CN)(Cc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-2-phenylbutan-1-amine?
The InChIKey is UBCQRJFMIJMFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-2-17(13-19,15-6-4-3-5-7-15)12-14-8-10-16(18)11-9-14/h3-11H,2,12-13,19H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-2-phenylbutan-1-amine?
2-[(4-chlorophenyl)methyl]-2-phenylbutan-1-amine has a molecular weight of 273.81 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-2-phenylbutan-1-amine is sourced from PubChem (CID 55106585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).