N-[(2-chloro-4-methylphenyl)methyl]-1-(4-methylphenyl)ethanamine

C17H20ClN — CID 106862514

IUPACN-[(2-chloro-4-methylphenyl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)NCc2ccc(C)cc2Cl)cc1
InChIInChI=1S/C17H20ClN/c1-12-4-7-15(8-5-12)14(3)19-11-16-9-6-13(2)10-17(16)18/h4-10,14,19H,11H2,1-3H3
InChIKeyMFVXWDFPCGYZIK-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.81
Rot. Bonds4

About N-[(2-chloro-4-methylphenyl)methyl]-1-(4-methylphenyl)ethanamine

N-[(2-chloro-4-methylphenyl)methyl]-1-(4-methylphenyl)ethanamine (PubChem CID 106862514) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is N-[(2-chloro-4-methylphenyl)methyl]-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-4-methylphenyl)methyl]-1-(4-methylphenyl)ethanamine
PubChem CID106862514
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC NameN-[(2-chloro-4-methylphenyl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)NCc2ccc(C)cc2Cl)cc1
InChIInChI=1S/C17H20ClN/c1-12-4-7-15(8-5-12)14(3)19-11-16-9-6-13(2)10-17(16)18/h4-10,14,19H,11H2,1-3H3
InChIKeyMFVXWDFPCGYZIK-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N-[(2-chloro-4-methylphenyl)methyl]-1-pyridin-4-ylethanamine
CID 106862995
(1R)-N-[(2-chloro-4-nitrophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81350231
(1R)-N-[(2,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356867
(1S)-N-[(3-chloro-4-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81355702
(1R)-N-[(2,4-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363606
1-(4-methylphenyl)-N-[(2,3,6-trichlorophenyl)methyl]ethanamine
CID 78943862
N-[(2-chloro-4-methylphenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 106862491
(1R)-N-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81348826
(1R)-1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]ethanamine
CID 78921805
(1S)-N-[(4-chloro-3-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81357069
(1R)-N-[(2,4-dimethylphenyl)methyl]-1-pyridin-4-ylethanamine
CID 28643694
3-chloro-4-[[1-(4-chlorophenyl)ethylamino]methyl]benzamide
CID 102664284

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]-1-(4-methylphenyl)ethanamine?
The IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]-1-(4-methylphenyl)ethanamine (CID 106862514) is N-[(2-chloro-4-methylphenyl)methyl]-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for N-[(2-chloro-4-methylphenyl)methyl]-1-(4-methylphenyl)ethanamine?
The canonical SMILES for N-[(2-chloro-4-methylphenyl)methyl]-1-(4-methylphenyl)ethanamine is Cc1ccc(C(C)NCc2ccc(C)cc2Cl)cc1.
What is the InChIKey of N-[(2-chloro-4-methylphenyl)methyl]-1-(4-methylphenyl)ethanamine?
The InChIKey is MFVXWDFPCGYZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-12-4-7-15(8-5-12)14(3)19-11-16-9-6-13(2)10-17(16)18/h4-10,14,19H,11H2,1-3H3.
What are the key properties of N-[(2-chloro-4-methylphenyl)methyl]-1-(4-methylphenyl)ethanamine?
N-[(2-chloro-4-methylphenyl)methyl]-1-(4-methylphenyl)ethanamine has a molecular weight of 273.81 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methylphenyl)methyl]-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 106862514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).