3-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine

C14H20ClNO — CID 79618026

IUPAC3-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCC(Oc2ccccc2Cl)C1
InChIInChI=1S/C14H20ClNO/c1-2-16-11-6-5-7-12(10-11)17-14-9-4-3-8-13(14)15/h3-4,8-9,11-12,16H,2,5-7,10H2,1H3
InChIKeyHYZYWEQLHSVJJC-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.64
Rot. Bonds4

About 3-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine

3-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine (PubChem CID 79618026) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine
PubChem CID79618026
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name3-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCC(Oc2ccccc2Cl)C1
InChIInChI=1S/C14H20ClNO/c1-2-16-11-6-5-7-12(10-11)17-14-9-4-3-8-13(14)15/h3-4,8-9,11-12,16H,2,5-7,10H2,1H3
InChIKeyHYZYWEQLHSVJJC-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine
CID 141084041
3-(2-chlorophenoxy)-N-ethylcyclobutan-1-amine
CID 66357505
N-ethyl-3-(2-propan-2-ylphenoxy)cyclohexan-1-amine
CID 79618563
1-chloro-2-(3-ethylcyclohexyl)oxybenzene
CID 64763442
3-(2-ethoxyphenoxy)-N-methylcyclohexan-1-amine
CID 79619308
3-(3-ethoxyphenoxy)-N-ethylcyclohexan-1-amine
CID 79618027
N-ethyl-3-(2-propoxyphenoxy)cyclobutan-1-amine
CID 66359384
3-ethoxy-N-ethylcyclohexan-1-amine
CID 79619303
2-(2-chlorophenoxy)-N-ethyl-4-propylcyclohexan-1-amine
CID 63499642
1,2-dichloro-3-cyclobutyloxybenzene
CID 130038402
3-(3-ethoxyphenoxy)-N-ethylcyclopentan-1-amine
CID 79632753
5-[[4-(2-chlorophenoxy)piperidin-1-yl]methyl]-N-ethylpyrimidin-2-amine
CID 56910012

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine?
The IUPAC name of 3-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine (CID 79618026) is 3-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 3-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine?
The canonical SMILES for 3-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine is CCNC1CCCC(Oc2ccccc2Cl)C1.
What is the InChIKey of 3-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine?
The InChIKey is HYZYWEQLHSVJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-2-16-11-6-5-7-12(10-11)17-14-9-4-3-8-13(14)15/h3-4,8-9,11-12,16H,2,5-7,10H2,1H3.
What are the key properties of 3-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine?
3-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine has a molecular weight of 253.77 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 79618026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).