N-benzyl-1-(4-chlorophenyl)ethanamine

C15H16ClN — CID 43177505

IUPACN-benzyl-1-(4-chlorophenyl)ethanamine
SMILESCC(NCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN/c1-12(14-7-9-15(16)10-8-14)17-11-13-5-3-2-4-6-13/h2-10,12,17H,11H2,1H3
InChIKeyOQEROPWWVOOSPE-UHFFFAOYSA-N
MW245.75 g/mol
LogP4.19
Rot. Bonds4

About N-benzyl-1-(4-chlorophenyl)ethanamine

N-benzyl-1-(4-chlorophenyl)ethanamine (PubChem CID 43177505) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is N-benzyl-1-(4-chlorophenyl)ethanamine.

Molecular Properties

Compound NameN-benzyl-1-(4-chlorophenyl)ethanamine
PubChem CID43177505
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC NameN-benzyl-1-(4-chlorophenyl)ethanamine
SMILESCC(NCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN/c1-12(14-7-9-15(16)10-8-14)17-11-13-5-3-2-4-6-13/h2-10,12,17H,11H2,1H3
InChIKeyOQEROPWWVOOSPE-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-benzyl-1-(4-chlorophenyl)ethanamine?
The IUPAC name of N-benzyl-1-(4-chlorophenyl)ethanamine (CID 43177505) is N-benzyl-1-(4-chlorophenyl)ethanamine.
What is the SMILES notation for N-benzyl-1-(4-chlorophenyl)ethanamine?
The canonical SMILES for N-benzyl-1-(4-chlorophenyl)ethanamine is CC(NCc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-benzyl-1-(4-chlorophenyl)ethanamine?
The InChIKey is OQEROPWWVOOSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN/c1-12(14-7-9-15(16)10-8-14)17-11-13-5-3-2-4-6-13/h2-10,12,17H,11H2,1H3.
What are the key properties of N-benzyl-1-(4-chlorophenyl)ethanamine?
N-benzyl-1-(4-chlorophenyl)ethanamine 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-benzyl-1-(4-chlorophenyl)ethanamine is sourced from PubChem (CID 43177505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).