2-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine

C15H15Cl2N — CID 39380174

IUPAC2-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine
SMILESClc1cccc(CCNCc2ccccc2Cl)c1
InChIInChI=1S/C15H15Cl2N/c16-14-6-3-4-12(10-14)8-9-18-11-13-5-1-2-7-15(13)17/h1-7,10,18H,8-9,11H2
InChIKeyXEKFLDCRUGDEPN-UHFFFAOYSA-N
MW280.20 g/mol
LogP4.33
Rot. Bonds5

About 2-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine

2-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine (PubChem CID 39380174) has the molecular formula C15H15Cl2N and a molecular weight of 280.20 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine
PubChem CID39380174
Molecular FormulaC15H15Cl2N
Molecular Weight280.20 g/mol
Exact Mass279.06
IUPAC Name2-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine
SMILESClc1cccc(CCNCc2ccccc2Cl)c1
InChIInChI=1S/C15H15Cl2N/c16-14-6-3-4-12(10-14)8-9-18-11-13-5-1-2-7-15(13)17/h1-7,10,18H,8-9,11H2
InChIKeyXEKFLDCRUGDEPN-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 54.33
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

N-benzyl-2-(3-chlorophenyl)ethanamine
CID 39349071
N'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)ethane-1,2-diamine
CID 54806960
N-[(3-chlorophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910558
N,N'-bis[(2-chlorophenyl)methyl]hexane-1,6-diamine
CID 16340
2-N-[2-(3-chlorophenyl)ethyl]-4-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917787
N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)methanamine
CID 4715652
N-[2-(3-chlorophenyl)ethyl]-2-fluoro-2-methylpropan-1-amine
CID 83823795
N-[(3-chlorophenyl)methyl]-2-(3,5-difluorophenyl)ethanamine
CID 62315704
N-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 11958390
N-[(2-bromo-5-chlorophenyl)methyl]-2-phenylethanamine
CID 66161236
N-[2-(3-chlorophenyl)ethyl]-2-[(2-methylphenyl)methylamino]acetamide
CID 108996547
N-(2-chlorophenyl)-3-[2-(3-chlorophenyl)ethylamino]propanamide
CID 109033323

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine (CID 39380174) is 2-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine is Clc1cccc(CCNCc2ccccc2Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine?
The InChIKey is XEKFLDCRUGDEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N/c16-14-6-3-4-12(10-14)8-9-18-11-13-5-1-2-7-15(13)17/h1-7,10,18H,8-9,11H2.
What are the key properties of 2-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine?
2-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine has a molecular weight of 280.20 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine is sourced from PubChem (CID 39380174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).