N-[(3-chlorophenyl)methyl]-1-phenylethanamine

C15H16ClN — CID 4719300

IUPACN-[(3-chlorophenyl)methyl]-1-phenylethanamine
SMILESCC(NCc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C15H16ClN/c1-12(14-7-3-2-4-8-14)17-11-13-6-5-9-15(16)10-13/h2-10,12,17H,11H2,1H3
InChIKeyJIWZHCWGNLVRCG-UHFFFAOYSA-N
MW245.75 g/mol
LogP4.19
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-1-phenylethanamine

N-[(3-chlorophenyl)methyl]-1-phenylethanamine (PubChem CID 4719300) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-phenylethanamine
PubChem CID4719300
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC NameN-[(3-chlorophenyl)methyl]-1-phenylethanamine
SMILESCC(NCc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C15H16ClN/c1-12(14-7-3-2-4-8-14)17-11-13-6-5-9-15(16)10-13/h2-10,12,17H,11H2,1H3
InChIKeyJIWZHCWGNLVRCG-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-phenylethanamine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-phenylethanamine (CID 4719300) is N-[(3-chlorophenyl)methyl]-1-phenylethanamine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-phenylethanamine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-phenylethanamine is CC(NCc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-phenylethanamine?
The InChIKey is JIWZHCWGNLVRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN/c1-12(14-7-3-2-4-8-14)17-11-13-6-5-9-15(16)10-13/h2-10,12,17H,11H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-1-phenylethanamine?
N-[(3-chlorophenyl)methyl]-1-phenylethanamine has a molecular weight of 245.75 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-phenylethanamine is sourced from PubChem (CID 4719300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).