2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine

C17H20ClN — CID 106866944

IUPAC2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine
SMILESCc1cc(C)cc(C(N)Cc2ccc(C)cc2Cl)c1
InChIInChI=1S/C17H20ClN/c1-11-4-5-14(16(18)9-11)10-17(19)15-7-12(2)6-13(3)8-15/h4-9,17H,10,19H2,1-3H3
InChIKeyDINZQOAWDZOVFM-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.51
Rot. Bonds3

About 2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine

2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine (PubChem CID 106866944) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine
PubChem CID106866944
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine
SMILESCc1cc(C)cc(C(N)Cc2ccc(C)cc2Cl)c1
InChIInChI=1S/C17H20ClN/c1-11-4-5-14(16(18)9-11)10-17(19)15-7-12(2)6-13(3)8-15/h4-9,17H,10,19H2,1-3H3
InChIKeyDINZQOAWDZOVFM-UHFFFAOYSA-N
XLogP4.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-4-methylphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503151
4-[1-amino-2-(2-chloro-4-methylphenyl)ethyl]-N,N-dimethylaniline
CID 106867526
1-(2-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)propan-2-amine
CID 106868091
2-(2-chloro-4-methylphenyl)-1-(4-methylsulfonylphenyl)ethanamine
CID 106866158
5-(2-chloro-4-methylphenyl)-4-methylpentan-2-amine
CID 106870188
2-(2,6-dichlorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 63414806
2-(5-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 103053134
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 106866367
2-(2-chloro-4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 106866965
1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106867036
1-chloro-3-(2-chloro-4-methylphenyl)propan-2-amine;hydrochloride
CID 162376791
2-(4-bromo-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 115844396

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine (CID 106866944) is 2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine is Cc1cc(C)cc(C(N)Cc2ccc(C)cc2Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine?
The InChIKey is DINZQOAWDZOVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-11-4-5-14(16(18)9-11)10-17(19)15-7-12(2)6-13(3)8-15/h4-9,17H,10,19H2,1-3H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine?
2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine has a molecular weight of 273.81 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 106866944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).