2-(4-chlorophenyl)-1-phenylethanamine

C14H14ClN — CID 3052630

IUPAC2-(4-chlorophenyl)-1-phenylethanamine
SMILESNC(Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H14ClN/c15-13-8-6-11(7-9-13)10-14(16)12-4-2-1-3-5-12/h1-9,14H,10,16H2
InChIKeyDYPUFZGNHHLMAL-UHFFFAOYSA-N
MW231.73 g/mol
LogP3.58
Rot. Bonds3

About 2-(4-chlorophenyl)-1-phenylethanamine

2-(4-chlorophenyl)-1-phenylethanamine (PubChem CID 3052630) has the molecular formula C14H14ClN and a molecular weight of 231.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-phenylethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-phenylethanamine
PubChem CID3052630
Molecular FormulaC14H14ClN
Molecular Weight231.73 g/mol
Exact Mass231.08
IUPAC Name2-(4-chlorophenyl)-1-phenylethanamine
SMILESNC(Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H14ClN/c15-13-8-6-11(7-9-13)10-14(16)12-4-2-1-3-5-12/h1-9,14H,10,16H2
InChIKeyDYPUFZGNHHLMAL-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-phenylethanamine?
The IUPAC name of 2-(4-chlorophenyl)-1-phenylethanamine (CID 3052630) is 2-(4-chlorophenyl)-1-phenylethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-phenylethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-1-phenylethanamine is NC(Cc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-phenylethanamine?
The InChIKey is DYPUFZGNHHLMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN/c15-13-8-6-11(7-9-13)10-14(16)12-4-2-1-3-5-12/h1-9,14H,10,16H2.
What are the key properties of 2-(4-chlorophenyl)-1-phenylethanamine?
2-(4-chlorophenyl)-1-phenylethanamine has a molecular weight of 231.73 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-phenylethanamine is sourced from PubChem (CID 3052630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).