N-[2-(2-chloro-3-methylphenyl)ethyl]-2-phenylethanamine

C17H20ClN — CID 142007864

IUPACN-[2-(2-chloro-3-methylphenyl)ethyl]-2-phenylethanamine
SMILESCc1cccc(CCNCCc2ccccc2)c1Cl
InChIInChI=1S/C17H20ClN/c1-14-6-5-9-16(17(14)18)11-13-19-12-10-15-7-3-2-4-8-15/h2-9,19H,10-13H2,1H3
InChIKeyIZMBRUHQFHNKRA-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.02
Rot. Bonds6

About N-[2-(2-chloro-3-methylphenyl)ethyl]-2-phenylethanamine

N-[2-(2-chloro-3-methylphenyl)ethyl]-2-phenylethanamine (PubChem CID 142007864) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is N-[2-(2-chloro-3-methylphenyl)ethyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-[2-(2-chloro-3-methylphenyl)ethyl]-2-phenylethanamine
PubChem CID142007864
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC NameN-[2-(2-chloro-3-methylphenyl)ethyl]-2-phenylethanamine
SMILESCc1cccc(CCNCCc2ccccc2)c1Cl
InChIInChI=1S/C17H20ClN/c1-14-6-5-9-16(17(14)18)11-13-19-12-10-15-7-3-2-4-8-15/h2-9,19H,10-13H2,1H3
InChIKeyIZMBRUHQFHNKRA-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.02
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

3-[2-[2-(2-methylphenyl)ethylamino]ethyl]phenol
CID 21152964
N'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)ethane-1,2-diamine
CID 54806960
N-[(3-chlorophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910558
N'-(2,3-dimethylphenyl)-N-(2-phenylethyl)ethane-1,2-diamine
CID 54807006
1-benzyl-2-chloro-3-methylbenzene;isocyanic acid
CID 88621188
N-[(2-chloro-3-fluorophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 112652160
1-(2-chloro-3-methylphenyl)-3-phenyl-N-propylpropan-1-amine
CID 115794374
3-(2-chloro-3-methylphenyl)propan-1-amine
CID 83696792
2-(2-chlorophenyl)-N-[2-(2-chlorophenyl)ethyl]ethanamine
CID 70453735
1,2-dichloro-3-(2-phenylethyl)benzene
CID 139886984
N-[(3-chloro-4-methylphenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 106816930
N,N'-bis(2-phenylethyl)octane-1,8-diamine;dihydrobromide
CID 3029610

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-3-methylphenyl)ethyl]-2-phenylethanamine?
The IUPAC name of N-[2-(2-chloro-3-methylphenyl)ethyl]-2-phenylethanamine (CID 142007864) is N-[2-(2-chloro-3-methylphenyl)ethyl]-2-phenylethanamine.
What is the SMILES notation for N-[2-(2-chloro-3-methylphenyl)ethyl]-2-phenylethanamine?
The canonical SMILES for N-[2-(2-chloro-3-methylphenyl)ethyl]-2-phenylethanamine is Cc1cccc(CCNCCc2ccccc2)c1Cl.
What is the InChIKey of N-[2-(2-chloro-3-methylphenyl)ethyl]-2-phenylethanamine?
The InChIKey is IZMBRUHQFHNKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-14-6-5-9-16(17(14)18)11-13-19-12-10-15-7-3-2-4-8-15/h2-9,19H,10-13H2,1H3.
What are the key properties of N-[2-(2-chloro-3-methylphenyl)ethyl]-2-phenylethanamine?
N-[2-(2-chloro-3-methylphenyl)ethyl]-2-phenylethanamine has a molecular weight of 273.81 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-3-methylphenyl)ethyl]-2-phenylethanamine is sourced from PubChem (CID 142007864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).