N-benzyl-2-(3-chlorophenyl)ethanamine

C15H16ClN — CID 39349071

IUPACN-benzyl-2-(3-chlorophenyl)ethanamine
SMILESClc1cccc(CCNCc2ccccc2)c1
InChIInChI=1S/C15H16ClN/c16-15-8-4-7-13(11-15)9-10-17-12-14-5-2-1-3-6-14/h1-8,11,17H,9-10,12H2
InChIKeyVQUJJMSXIGVRIL-UHFFFAOYSA-N
MW245.75 g/mol
LogP3.67
Rot. Bonds5

About N-benzyl-2-(3-chlorophenyl)ethanamine

N-benzyl-2-(3-chlorophenyl)ethanamine (PubChem CID 39349071) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is N-benzyl-2-(3-chlorophenyl)ethanamine.

Molecular Properties

Compound NameN-benzyl-2-(3-chlorophenyl)ethanamine
PubChem CID39349071
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC NameN-benzyl-2-(3-chlorophenyl)ethanamine
SMILESClc1cccc(CCNCc2ccccc2)c1
InChIInChI=1S/C15H16ClN/c16-15-8-4-7-13(11-15)9-10-17-12-14-5-2-1-3-6-14/h1-8,11,17H,9-10,12H2
InChIKeyVQUJJMSXIGVRIL-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine
CID 39380174
2-(benzylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 108996409
N-[(3-chlorophenyl)methyl]-2-(3,5-difluorophenyl)ethanamine
CID 62315704
N-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 11958390
N-[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]acetamide;hydrochloride
CID 155821876
N-[(3-chlorophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910558
N-[2-(3-chlorophenyl)ethyl]-2-fluoro-2-methylpropan-1-amine
CID 83823795
N-benzyl-2-(7-chloronaphthalen-1-yl)ethanamine
CID 170604513
N-[(3-chlorophenyl)methyl]-2-fluoroethanamine
CID 80694369
2-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 53274413
2-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine;oxalic acid
CID 17367589
2-bromo-N-[2-(3-chlorophenyl)ethyl]prop-2-en-1-amine
CID 142912898

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-chlorophenyl)ethanamine?
The IUPAC name of N-benzyl-2-(3-chlorophenyl)ethanamine (CID 39349071) is N-benzyl-2-(3-chlorophenyl)ethanamine.
What is the SMILES notation for N-benzyl-2-(3-chlorophenyl)ethanamine?
The canonical SMILES for N-benzyl-2-(3-chlorophenyl)ethanamine is Clc1cccc(CCNCc2ccccc2)c1.
What is the InChIKey of N-benzyl-2-(3-chlorophenyl)ethanamine?
The InChIKey is VQUJJMSXIGVRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN/c16-15-8-4-7-13(11-15)9-10-17-12-14-5-2-1-3-6-14/h1-8,11,17H,9-10,12H2.
What are the key properties of N-benzyl-2-(3-chlorophenyl)ethanamine?
N-benzyl-2-(3-chlorophenyl)ethanamine has a molecular weight of 245.75 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-chlorophenyl)ethanamine is sourced from PubChem (CID 39349071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).