(5-chloro-2-methylphenyl)-(4-ethylcyclohexyl)methanamine

C16H24ClN — CID 104990915

IUPAC(5-chloro-2-methylphenyl)-(4-ethylcyclohexyl)methanamine
SMILESCCC1CCC(C(N)c2cc(Cl)ccc2C)CC1
InChIInChI=1S/C16H24ClN/c1-3-12-5-7-13(8-6-12)16(18)15-10-14(17)9-4-11(15)2/h4,9-10,12-13,16H,3,5-8,18H2,1-2H3
InChIKeyMOZQVSFHWPWXGM-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.86
Rot. Bonds3

About (5-chloro-2-methylphenyl)-(4-ethylcyclohexyl)methanamine

(5-chloro-2-methylphenyl)-(4-ethylcyclohexyl)methanamine (PubChem CID 104990915) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is (5-chloro-2-methylphenyl)-(4-ethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(5-chloro-2-methylphenyl)-(4-ethylcyclohexyl)methanamine
PubChem CID104990915
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name(5-chloro-2-methylphenyl)-(4-ethylcyclohexyl)methanamine
SMILESCCC1CCC(C(N)c2cc(Cl)ccc2C)CC1
InChIInChI=1S/C16H24ClN/c1-3-12-5-7-13(8-6-12)16(18)15-10-14(17)9-4-11(15)2/h4,9-10,12-13,16H,3,5-8,18H2,1-2H3
InChIKeyMOZQVSFHWPWXGM-UHFFFAOYSA-N
XLogP4.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-chloro-2-fluorophenyl)-(4-ethylcyclohexyl)methanamine
CID 114885926
1-(5-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 104990914
(2,5-dimethylphenyl)-(3-ethylcyclopentyl)methanamine
CID 65410620
(2,5-dichlorophenyl)-(4-propylcyclohexyl)methanamine
CID 65423953
(4-ethylcyclohexyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433606
(2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanamine
CID 65393105
(5-chloro-1-benzofuran-2-yl)-(4-ethylcyclohexyl)methanamine
CID 114729198
[3-[(R)-amino(cyclopropyl)methyl]-4-methylphenyl]methanol
CID 130665283
(1S)-1-(4-chloro-2-methylphenyl)-2-cyclopropylethanamine
CID 131029260
(S)-(4-chloro-2-methylphenyl)-cyclopentylmethanamine
CID 131595762
(3,5-dimethylphenyl)-(4-ethylcyclohexyl)methanamine
CID 65395177
4-[amino-(5-bromo-2-methylphenyl)methyl]cyclohexan-1-amine
CID 116937185

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylphenyl)-(4-ethylcyclohexyl)methanamine?
The IUPAC name of (5-chloro-2-methylphenyl)-(4-ethylcyclohexyl)methanamine (CID 104990915) is (5-chloro-2-methylphenyl)-(4-ethylcyclohexyl)methanamine.
What is the SMILES notation for (5-chloro-2-methylphenyl)-(4-ethylcyclohexyl)methanamine?
The canonical SMILES for (5-chloro-2-methylphenyl)-(4-ethylcyclohexyl)methanamine is CCC1CCC(C(N)c2cc(Cl)ccc2C)CC1.
What is the InChIKey of (5-chloro-2-methylphenyl)-(4-ethylcyclohexyl)methanamine?
The InChIKey is MOZQVSFHWPWXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-3-12-5-7-13(8-6-12)16(18)15-10-14(17)9-4-11(15)2/h4,9-10,12-13,16H,3,5-8,18H2,1-2H3.
What are the key properties of (5-chloro-2-methylphenyl)-(4-ethylcyclohexyl)methanamine?
(5-chloro-2-methylphenyl)-(4-ethylcyclohexyl)methanamine has a molecular weight of 265.83 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylphenyl)-(4-ethylcyclohexyl)methanamine is sourced from PubChem (CID 104990915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).