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

C17H20ClN — CID 106862733

IUPAC1-(2-chloro-4-methylphenyl)-N-[(2-ethylphenyl)methyl]methanamine
SMILESCCc1ccccc1CNCc1ccc(C)cc1Cl
InChIInChI=1S/C17H20ClN/c1-3-14-6-4-5-7-15(14)11-19-12-16-9-8-13(2)10-17(16)18/h4-10,19H,3,11-12H2,1-2H3
InChIKeyQJIZVVAFWZYPAT-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.50
Rot. Bonds5

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

1-(2-chloro-4-methylphenyl)-N-[(2-ethylphenyl)methyl]methanamine (PubChem CID 106862733) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-N-[(2-ethylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-N-[(2-ethylphenyl)methyl]methanamine
PubChem CID106862733
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name1-(2-chloro-4-methylphenyl)-N-[(2-ethylphenyl)methyl]methanamine
SMILESCCc1ccccc1CNCc1ccc(C)cc1Cl
InChIInChI=1S/C17H20ClN/c1-3-14-6-4-5-7-15(14)11-19-12-16-9-8-13(2)10-17(16)18/h4-10,19H,3,11-12H2,1-2H3
InChIKeyQJIZVVAFWZYPAT-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-methylphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 106862383
2-chloro-1-ethyl-4-methylbenzene;ethane
CID 143541856
2-bromo-N-[(2-chloro-4-methylphenyl)methyl]ethanamine
CID 106869920
2-[(2-chloro-4-methylphenyl)methylamino]acetic acid
CID 106865112
N-[(2-chloro-4-methylphenyl)methyl]decan-1-amine
CID 106862878
N-[(2-chloro-4-methylphenyl)methyl]prop-2-yn-1-amine
CID 106862000
1-(2-chloro-4-methylphenyl)-N-ethoxymethanamine
CID 106862753
2-[[(2-chlorophenyl)methylamino]methyl]-4-methylphenol
CID 63323116
4-[[(2-chloro-4-methylphenyl)methylamino]methyl]phenol
CID 106863298
N-[(2-chloro-4-methylphenyl)methyl]-2-phenylpropan-1-amine
CID 106863140
N-[[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 106861648
N'-[(2-chloro-4-methylphenyl)methyl]-N-methylpropane-1,3-diamine
CID 106861235

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-N-[(2-ethylphenyl)methyl]methanamine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-N-[(2-ethylphenyl)methyl]methanamine (CID 106862733) is 1-(2-chloro-4-methylphenyl)-N-[(2-ethylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-N-[(2-ethylphenyl)methyl]methanamine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-N-[(2-ethylphenyl)methyl]methanamine is CCc1ccccc1CNCc1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-N-[(2-ethylphenyl)methyl]methanamine?
The InChIKey is QJIZVVAFWZYPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-3-14-6-4-5-7-15(14)11-19-12-16-9-8-13(2)10-17(16)18/h4-10,19H,3,11-12H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-N-[(2-ethylphenyl)methyl]methanamine?
1-(2-chloro-4-methylphenyl)-N-[(2-ethylphenyl)methyl]methanamine has a molecular weight of 273.81 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-N-[(2-ethylphenyl)methyl]methanamine is sourced from PubChem (CID 106862733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).