2-(4-chloro-3-methylphenoxy)-4-ethyl-N-methylcyclohexan-1-amine

C16H24ClNO — CID 63500371

IUPAC2-(4-chloro-3-methylphenoxy)-4-ethyl-N-methylcyclohexan-1-amine
SMILESCCC1CCC(NC)C(Oc2ccc(Cl)c(C)c2)C1
InChIInChI=1S/C16H24ClNO/c1-4-12-5-8-15(18-3)16(10-12)19-13-6-7-14(17)11(2)9-13/h6-7,9,12,15-16,18H,4-5,8,10H2,1-3H3
InChIKeyPGHTZVQRMZWTER-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.19
Rot. Bonds4

About 2-(4-chloro-3-methylphenoxy)-4-ethyl-N-methylcyclohexan-1-amine

2-(4-chloro-3-methylphenoxy)-4-ethyl-N-methylcyclohexan-1-amine (PubChem CID 63500371) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-4-ethyl-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-4-ethyl-N-methylcyclohexan-1-amine
PubChem CID63500371
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name2-(4-chloro-3-methylphenoxy)-4-ethyl-N-methylcyclohexan-1-amine
SMILESCCC1CCC(NC)C(Oc2ccc(Cl)c(C)c2)C1
InChIInChI=1S/C16H24ClNO/c1-4-12-5-8-15(18-3)16(10-12)19-13-6-7-14(17)11(2)9-13/h6-7,9,12,15-16,18H,4-5,8,10H2,1-3H3
InChIKeyPGHTZVQRMZWTER-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-difluorophenoxy)-4-ethyl-N-methylcyclohexan-1-amine
CID 55112524
[2-(3,4-dimethylphenoxy)-4-ethylcyclohexyl]methanamine
CID 43293944
[2-(4-chloro-3-methylphenoxy)-4-propylcyclohexyl]methanamine
CID 43530896
2-(3,4-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile
CID 43292301
3-(4-chloro-3-methylphenoxy)-2-ethoxycyclobutan-1-ol
CID 113439889
[2-(4-chloro-3-ethylphenoxy)-4-ethylcyclohexyl]methanamine
CID 43531328
2-(2-chloro-4-methylphenoxy)-N,4-diethylcyclohexan-1-amine
CID 63500202
3-(4-chloro-3-methylphenoxy)-2-propoxycyclobutan-1-ol
CID 107942506
2-(3,5-difluorophenoxy)-N,4-diethylcyclohexan-1-amine
CID 63499477
2-(4-chloro-3-ethylphenoxy)-4-ethylcyclohexane-1-carbonitrile
CID 43292922
4-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol
CID 63472705
4-ethyl-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
CID 107170256

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-4-ethyl-N-methylcyclohexan-1-amine?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-4-ethyl-N-methylcyclohexan-1-amine (CID 63500371) is 2-(4-chloro-3-methylphenoxy)-4-ethyl-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-4-ethyl-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-4-ethyl-N-methylcyclohexan-1-amine is CCC1CCC(NC)C(Oc2ccc(Cl)c(C)c2)C1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-4-ethyl-N-methylcyclohexan-1-amine?
The InChIKey is PGHTZVQRMZWTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-4-12-5-8-15(18-3)16(10-12)19-13-6-7-14(17)11(2)9-13/h6-7,9,12,15-16,18H,4-5,8,10H2,1-3H3.
What are the key properties of 2-(4-chloro-3-methylphenoxy)-4-ethyl-N-methylcyclohexan-1-amine?
2-(4-chloro-3-methylphenoxy)-4-ethyl-N-methylcyclohexan-1-amine has a molecular weight of 281.83 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-4-ethyl-N-methylcyclohexan-1-amine is sourced from PubChem (CID 63500371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).