4-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine

C14H20ClNO — CID 141084041

IUPAC4-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine
SMILESCCNC1CCC(Oc2ccccc2Cl)CC1
InChIInChI=1S/C14H20ClNO/c1-2-16-11-7-9-12(10-8-11)17-14-6-4-3-5-13(14)15/h3-6,11-12,16H,2,7-10H2,1H3
InChIKeyXQLNFDVYZWJOEL-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.64
Rot. Bonds4

About 4-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine

4-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine (PubChem CID 141084041) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine
PubChem CID141084041
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name4-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine
SMILESCCNC1CCC(Oc2ccccc2Cl)CC1
InChIInChI=1S/C14H20ClNO/c1-2-16-11-7-9-12(10-8-11)17-14-6-4-3-5-13(14)15/h3-6,11-12,16H,2,7-10H2,1H3
InChIKeyXQLNFDVYZWJOEL-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

3-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine
CID 79618026
3-(2-chlorophenoxy)-N-ethylcyclobutan-1-amine
CID 66357505
1-chloro-2-(3-ethylcyclohexyl)oxybenzene
CID 64763442
N-ethyl-3-(2-propan-2-ylphenoxy)cyclohexan-1-amine
CID 79618563
2-[4-(2-chlorophenoxy)piperidin-1-yl]-5-propyl-1,3,4-oxadiazole
CID 72839343
N-[[3-chloro-4-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
CID 64748077
N-[3-(2-chlorophenoxy)-2-methylpropyl]cyclopropanamine
CID 62454591
2-chloro-N-[4-(ethylamino)cyclohexyl]benzamide
CID 43653317
2-(2-chlorophenoxy)-N-ethyl-4-propylcyclohexan-1-amine
CID 63499642
N-[[3-chloro-2-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
CID 115953858
4-[(3-chloro-4-pyridinyl)methoxy]-N-ethylcyclohexan-1-amine
CID 113414026
5-[[4-(2-chlorophenoxy)piperidin-1-yl]methyl]-N-ethylpyrimidin-2-amine
CID 56910012

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine?
The IUPAC name of 4-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine (CID 141084041) is 4-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 4-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine?
The canonical SMILES for 4-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine is CCNC1CCC(Oc2ccccc2Cl)CC1.
What is the InChIKey of 4-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine?
The InChIKey is XQLNFDVYZWJOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-2-16-11-7-9-12(10-8-11)17-14-6-4-3-5-13(14)15/h3-6,11-12,16H,2,7-10H2,1H3.
What are the key properties of 4-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine?
4-(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 4-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 141084041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).