N-[(2-chlorophenyl)methyl]-1-phenylethanamine

C15H16ClN — CID 2757411

IUPACN-[(2-chlorophenyl)methyl]-1-phenylethanamine
SMILESCC(NCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C15H16ClN/c1-12(13-7-3-2-4-8-13)17-11-14-9-5-6-10-15(14)16/h2-10,12,17H,11H2,1H3
InChIKeyLOSJSCRCNLVTTA-UHFFFAOYSA-N
MW245.75 g/mol
LogP4.19
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-1-phenylethanamine

N-[(2-chlorophenyl)methyl]-1-phenylethanamine (PubChem CID 2757411) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-phenylethanamine
PubChem CID2757411
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC NameN-[(2-chlorophenyl)methyl]-1-phenylethanamine
SMILESCC(NCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C15H16ClN/c1-12(13-7-3-2-4-8-13)17-11-14-9-5-6-10-15(14)16/h2-10,12,17H,11H2,1H3
InChIKeyLOSJSCRCNLVTTA-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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Related Compounds

1-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine
CID 43178091
(1S)-N-[(2,6-dichlorophenyl)methyl]-1-phenylethanamine
CID 961193
4-[1-[(2-chlorophenyl)methylamino]ethyl]benzonitrile
CID 43192680
N-[(2-chlorophenyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 103855026
2-[(1-phenylethylamino)methyl]phenol
CID 3669487
N-[(2-chlorophenyl)methyl]-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 2684123
1-(4-butylphenyl)-N-[(2-chlorophenyl)methyl]ethanamine
CID 43096351
3-(2-chlorophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 95168121
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 4715547
(1S)-N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 40761543
N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 43178075
2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
CID 28645228

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-phenylethanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-phenylethanamine (CID 2757411) is N-[(2-chlorophenyl)methyl]-1-phenylethanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-phenylethanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-phenylethanamine is CC(NCc1ccccc1Cl)c1ccccc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-phenylethanamine?
The InChIKey is LOSJSCRCNLVTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN/c1-12(13-7-3-2-4-8-13)17-11-14-9-5-6-10-15(14)16/h2-10,12,17H,11H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-phenylethanamine?
N-[(2-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-[(2-chlorophenyl)methyl]-1-phenylethanamine is sourced from PubChem (CID 2757411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).