2-(2-chlorophenoxy)-N-ethyl-4-propylcyclohexan-1-amine

C17H26ClNO — CID 63499642

IUPAC2-(2-chlorophenoxy)-N-ethyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCC)C(Oc2ccccc2Cl)C1
InChIInChI=1S/C17H26ClNO/c1-3-7-13-10-11-15(19-4-2)17(12-13)20-16-9-6-5-8-14(16)18/h5-6,8-9,13,15,17,19H,3-4,7,10-12H2,1-2H3
InChIKeyKTOYSNJYWBAEPC-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.67
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-ethyl-4-propylcyclohexan-1-amine

2-(2-chlorophenoxy)-N-ethyl-4-propylcyclohexan-1-amine (PubChem CID 63499642) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-ethyl-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-ethyl-4-propylcyclohexan-1-amine
PubChem CID63499642
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name2-(2-chlorophenoxy)-N-ethyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCC)C(Oc2ccccc2Cl)C1
InChIInChI=1S/C17H26ClNO/c1-3-7-13-10-11-15(19-4-2)17(12-13)20-16-9-6-5-8-14(16)18/h5-6,8-9,13,15,17,19H,3-4,7,10-12H2,1-2H3
InChIKeyKTOYSNJYWBAEPC-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-methylphenoxy)-N-ethyl-4-propylcyclohexan-1-amine
CID 63500386
2-(2-chloro-4-methylphenoxy)-N,4-diethylcyclohexan-1-amine
CID 63500202
2-[(2,6-dichlorophenyl)methyl]-N-ethyl-4-propylcyclohexan-1-amine
CID 63401618
2-(2,3-difluorophenoxy)-N,4-diethylcyclohexan-1-amine
CID 63036050
N-ethyl-4-methyl-2-(2-propan-2-ylphenoxy)cyclohexan-1-amine
CID 63476148
3-(2-chlorophenoxy)-N-ethylcyclobutan-1-amine
CID 66357505
4-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine
CID 141084041
3-(2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
CID 104675988
[2-(2-methoxyphenoxy)-4-propylcyclohexyl]methanamine
CID 43293990
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethyl-4-propylcyclohexan-1-amine
CID 64629453
3-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine
CID 79618026
2-(3-methylphenoxy)-N,4-dipropylcyclohexan-1-amine
CID 63475423

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-ethyl-4-propylcyclohexan-1-amine?
The IUPAC name of 2-(2-chlorophenoxy)-N-ethyl-4-propylcyclohexan-1-amine (CID 63499642) is 2-(2-chlorophenoxy)-N-ethyl-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-ethyl-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-(2-chlorophenoxy)-N-ethyl-4-propylcyclohexan-1-amine is CCCC1CCC(NCC)C(Oc2ccccc2Cl)C1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-ethyl-4-propylcyclohexan-1-amine?
The InChIKey is KTOYSNJYWBAEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-3-7-13-10-11-15(19-4-2)17(12-13)20-16-9-6-5-8-14(16)18/h5-6,8-9,13,15,17,19H,3-4,7,10-12H2,1-2H3.
What are the key properties of 2-(2-chlorophenoxy)-N-ethyl-4-propylcyclohexan-1-amine?
2-(2-chlorophenoxy)-N-ethyl-4-propylcyclohexan-1-amine has a molecular weight of 295.85 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-ethyl-4-propylcyclohexan-1-amine is sourced from PubChem (CID 63499642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).