2-benzyl-3-(2-chlorophenyl)propan-1-amine

C16H18ClN — CID 62504845

IUPAC2-benzyl-3-(2-chlorophenyl)propan-1-amine
SMILESNCC(Cc1ccccc1)Cc1ccccc1Cl
InChIInChI=1S/C16H18ClN/c17-16-9-5-4-8-15(16)11-14(12-18)10-13-6-2-1-3-7-13/h1-9,14H,10-12,18H2
InChIKeyFBLFNAKKQHDWQO-UHFFFAOYSA-N
MW259.78 g/mol
LogP3.70
Rot. Bonds5

About 2-benzyl-3-(2-chlorophenyl)propan-1-amine

2-benzyl-3-(2-chlorophenyl)propan-1-amine (PubChem CID 62504845) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is 2-benzyl-3-(2-chlorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-benzyl-3-(2-chlorophenyl)propan-1-amine
PubChem CID62504845
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name2-benzyl-3-(2-chlorophenyl)propan-1-amine
SMILESNCC(Cc1ccccc1)Cc1ccccc1Cl
InChIInChI=1S/C16H18ClN/c17-16-9-5-4-8-15(16)11-14(12-18)10-13-6-2-1-3-7-13/h1-9,14H,10-12,18H2
InChIKeyFBLFNAKKQHDWQO-UHFFFAOYSA-N
XLogP3.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309611
2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)propan-1-amine
CID 63496346
2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309628
2-benzyl-3-phenylpropan-1-amine;hydrochloride
CID 75481010
2-[(4-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309618
2-benzyl-3-(2,3-difluorophenyl)propan-1-amine
CID 55083934
2-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropan-1-amine
CID 62528407
2-[(2-chlorophenyl)methyl]-6-methylheptan-1-amine
CID 83169265
2-[(2-chlorophenyl)methyl]heptan-1-amine
CID 63497774
2-[(3-chloro-2-fluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 102858628
2-[(3-bromophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309624
2-[(4-bromothiophen-2-yl)methyl]-3-(2-chlorophenyl)propan-1-amine
CID 62529611

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(2-chlorophenyl)propan-1-amine?
The IUPAC name of 2-benzyl-3-(2-chlorophenyl)propan-1-amine (CID 62504845) is 2-benzyl-3-(2-chlorophenyl)propan-1-amine.
What is the SMILES notation for 2-benzyl-3-(2-chlorophenyl)propan-1-amine?
The canonical SMILES for 2-benzyl-3-(2-chlorophenyl)propan-1-amine is NCC(Cc1ccccc1)Cc1ccccc1Cl.
What is the InChIKey of 2-benzyl-3-(2-chlorophenyl)propan-1-amine?
The InChIKey is FBLFNAKKQHDWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c17-16-9-5-4-8-15(16)11-14(12-18)10-13-6-2-1-3-7-13/h1-9,14H,10-12,18H2.
What are the key properties of 2-benzyl-3-(2-chlorophenyl)propan-1-amine?
2-benzyl-3-(2-chlorophenyl)propan-1-amine has a molecular weight of 259.78 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(2-chlorophenyl)propan-1-amine is sourced from PubChem (CID 62504845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).