1-(4-chlorophenyl)-2-phenylethanamine

C14H14ClN — CID 12790990

IUPAC1-(4-chlorophenyl)-2-phenylethanamine
SMILESNC(Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-9,14H,10,16H2
InChIKeyLOBUEOHOZLKGHQ-UHFFFAOYSA-N
MW231.73 g/mol
LogP3.58
Rot. Bonds3

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

1-(4-chlorophenyl)-2-phenylethanamine (PubChem CID 12790990) has the molecular formula C14H14ClN and a molecular weight of 231.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-phenylethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-phenylethanamine
PubChem CID12790990
Molecular FormulaC14H14ClN
Molecular Weight231.73 g/mol
Exact Mass231.08
IUPAC Name1-(4-chlorophenyl)-2-phenylethanamine
SMILESNC(Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-9,14H,10,16H2
InChIKeyLOBUEOHOZLKGHQ-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 1-(4-chlorophenyl)-2-phenylethanamine?
The IUPAC name of 1-(4-chlorophenyl)-2-phenylethanamine (CID 12790990) is 1-(4-chlorophenyl)-2-phenylethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-phenylethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-2-phenylethanamine is NC(Cc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-phenylethanamine?
The InChIKey is LOBUEOHOZLKGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-9,14H,10,16H2.
What are the key properties of 1-(4-chlorophenyl)-2-phenylethanamine?
1-(4-chlorophenyl)-2-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 1-(4-chlorophenyl)-2-phenylethanamine is sourced from PubChem (CID 12790990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).