N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine

C17H26ClN — CID 106816651

IUPACN-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
SMILESCCC1CCC(CNCc2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C17H26ClN/c1-3-14-6-8-15(9-7-14)11-19-12-16-5-4-13(2)17(18)10-16/h4-5,10,14-15,19H,3,6-9,11-12H2,1-2H3
InChIKeySQZPFIHECUUZDK-UHFFFAOYSA-N
MW279.86 g/mol
LogP4.95
Rot. Bonds5

About N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine

N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine (PubChem CID 106816651) has the molecular formula C17H26ClN and a molecular weight of 279.86 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
PubChem CID106816651
Molecular FormulaC17H26ClN
Molecular Weight279.86 g/mol
Exact Mass279.18
IUPAC NameN-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
SMILESCCC1CCC(CNCc2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C17H26ClN/c1-3-14-6-8-15(9-7-14)11-19-12-16-5-4-13(2)17(18)10-16/h4-5,10,14-15,19H,3,6-9,11-12H2,1-2H3
InChIKeySQZPFIHECUUZDK-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.86
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]-1-cyclohexylmethanamine
CID 106816234
1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43434536
N-[(4-bromo-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 66472811
1-(4-ethylcyclohexyl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine
CID 63451553
1-(4-ethylcyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine
CID 63451562
N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 63195312
1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43220454
1-(3-chlorocyclopentyl)-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 106121365
4-[(cyclopropylmethylamino)methyl]-2-methylaniline
CID 61150758
N-[(4-bromo-3-chlorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 114076532
N-[(3-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 63451744
N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 142229293

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine?
The IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine (CID 106816651) is N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine is CCC1CCC(CNCc2ccc(C)c(Cl)c2)CC1.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine?
The InChIKey is SQZPFIHECUUZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-3-14-6-8-15(9-7-14)11-19-12-16-5-4-13(2)17(18)10-16/h4-5,10,14-15,19H,3,6-9,11-12H2,1-2H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine?
N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine has a molecular weight of 279.86 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine is sourced from PubChem (CID 106816651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).