2-[(3,4-dichlorophenyl)methyl]-2-phenylbutan-1-amine

C17H19Cl2N — CID 63523051

IUPAC2-[(3,4-dichlorophenyl)methyl]-2-phenylbutan-1-amine
SMILESCCC(CN)(Cc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C17H19Cl2N/c1-2-17(12-20,14-6-4-3-5-7-14)11-13-8-9-15(18)16(19)10-13/h3-10H,2,11-12,20H2,1H3
InChIKeyCQFZUIQGUYWWIM-UHFFFAOYSA-N
MW308.25 g/mol
LogP4.84
Rot. Bonds5

About 2-[(3,4-dichlorophenyl)methyl]-2-phenylbutan-1-amine

2-[(3,4-dichlorophenyl)methyl]-2-phenylbutan-1-amine (PubChem CID 63523051) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl]-2-phenylbutan-1-amine.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl]-2-phenylbutan-1-amine
PubChem CID63523051
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC Name2-[(3,4-dichlorophenyl)methyl]-2-phenylbutan-1-amine
SMILESCCC(CN)(Cc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C17H19Cl2N/c1-2-17(12-20,14-6-4-3-5-7-14)11-13-8-9-15(18)16(19)10-13/h3-10H,2,11-12,20H2,1H3
InChIKeyCQFZUIQGUYWWIM-UHFFFAOYSA-N
XLogP4.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-chlorophenyl)methyl]-2-phenylbutan-1-amine
CID 55106585
2-[(4-methylphenyl)methyl]-2-phenylbutan-1-amine
CID 55106632
3-(3,4-dichlorophenyl)-2-methyl-2-phenylpropanenitrile
CID 82140043
2-[(2-chloro-6-fluorophenyl)methyl]-2-phenylbutan-1-amine
CID 63523052
3-(3,4-dichlorophenyl)-2,2-dimethylpropan-1-amine
CID 62739590
2-[(1-ethylpyrazol-4-yl)methyl]-2-phenylbutan-1-amine
CID 62723308
2-phenyl-2-(trimethylsilylmethyl)butan-1-amine
CID 106323367
1-[2-(bromomethyl)-2-phenylbutyl]-3-chlorobenzene
CID 66048066
2-[(2,5-dimethylphenyl)methyl]-2-phenylbutan-1-amine
CID 63522869
1-(3,4-dichlorophenyl)-2-methyl-3-phenylpropan-2-ol
CID 63012421
3-[(3,4-dichlorophenyl)methyl]-2-methylpentan-3-amine
CID 62622579
2-(aminomethyl)-3-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-ol
CID 106508157

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-2-phenylbutan-1-amine?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-2-phenylbutan-1-amine (CID 63523051) is 2-[(3,4-dichlorophenyl)methyl]-2-phenylbutan-1-amine.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl]-2-phenylbutan-1-amine?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl]-2-phenylbutan-1-amine is CCC(CN)(Cc1ccc(Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl]-2-phenylbutan-1-amine?
The InChIKey is CQFZUIQGUYWWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-2-17(12-20,14-6-4-3-5-7-14)11-13-8-9-15(18)16(19)10-13/h3-10H,2,11-12,20H2,1H3.
What are the key properties of 2-[(3,4-dichlorophenyl)methyl]-2-phenylbutan-1-amine?
2-[(3,4-dichlorophenyl)methyl]-2-phenylbutan-1-amine has a molecular weight of 308.25 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl]-2-phenylbutan-1-amine is sourced from PubChem (CID 63523051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).