1-(2-chlorophenyl)-1-(2-ethylcyclohexyl)oxypropan-2-amine

C17H26ClNO — CID 63457119

IUPAC1-(2-chlorophenyl)-1-(2-ethylcyclohexyl)oxypropan-2-amine
SMILESCCC1CCCCC1OC(c1ccccc1Cl)C(C)N
InChIInChI=1S/C17H26ClNO/c1-3-13-8-4-7-11-16(13)20-17(12(2)19)14-9-5-6-10-15(14)18/h5-6,9-10,12-13,16-17H,3-4,7-8,11,19H2,1-2H3
InChIKeyUFRFBIKRWHRUJL-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.71
Rot. Bonds5

About 1-(2-chlorophenyl)-1-(2-ethylcyclohexyl)oxypropan-2-amine

1-(2-chlorophenyl)-1-(2-ethylcyclohexyl)oxypropan-2-amine (PubChem CID 63457119) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-(2-ethylcyclohexyl)oxypropan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-(2-ethylcyclohexyl)oxypropan-2-amine
PubChem CID63457119
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name1-(2-chlorophenyl)-1-(2-ethylcyclohexyl)oxypropan-2-amine
SMILESCCC1CCCCC1OC(c1ccccc1Cl)C(C)N
InChIInChI=1S/C17H26ClNO/c1-3-13-8-4-7-11-16(13)20-17(12(2)19)14-9-5-6-10-15(14)18/h5-6,9-10,12-13,16-17H,3-4,7-8,11,19H2,1-2H3
InChIKeyUFRFBIKRWHRUJL-UHFFFAOYSA-N
XLogP4.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-1-cyclopentyloxypropan-2-amine
CID 55022905
1-(2-chlorophenyl)-1-(cyclohexylmethoxy)propan-2-amine
CID 55066579
1-[2-(2-ethylcyclohexyl)oxy-3-pyridinyl]ethanamine
CID 114056592
(1S)-1-[2-(2-ethylcyclohexyl)oxy-4-methylphenyl]ethanamine
CID 78953333
1-(2-ethylcyclohexyl)oxy-1-(5-methylthiophen-2-yl)butan-2-amine
CID 63458965
N-[(2-chlorophenyl)-(2-ethylcyclohexyl)methyl]ethanamine
CID 63863652
1-(2-ethylcyclohexyl)oxy-1-(4-fluorophenyl)butan-2-amine
CID 63457116
1-(2-chlorophenoxy)-1-(2-chlorophenyl)propan-2-amine
CID 55022474
1-(2-chlorophenyl)-1-(2-methylpentoxy)propan-2-amine
CID 103283025
1-[5-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine
CID 63863014
1-[2-bromo-1-(2-methylcyclohexyl)oxyethyl]-2-chlorobenzene
CID 63468076
2-(bromomethyl)-1-chloro-3-(2-ethylcyclohexyl)oxybenzene
CID 113276992

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-(2-ethylcyclohexyl)oxypropan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-1-(2-ethylcyclohexyl)oxypropan-2-amine (CID 63457119) is 1-(2-chlorophenyl)-1-(2-ethylcyclohexyl)oxypropan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-1-(2-ethylcyclohexyl)oxypropan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-1-(2-ethylcyclohexyl)oxypropan-2-amine is CCC1CCCCC1OC(c1ccccc1Cl)C(C)N.
What is the InChIKey of 1-(2-chlorophenyl)-1-(2-ethylcyclohexyl)oxypropan-2-amine?
The InChIKey is UFRFBIKRWHRUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-3-13-8-4-7-11-16(13)20-17(12(2)19)14-9-5-6-10-15(14)18/h5-6,9-10,12-13,16-17H,3-4,7-8,11,19H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-1-(2-ethylcyclohexyl)oxypropan-2-amine?
1-(2-chlorophenyl)-1-(2-ethylcyclohexyl)oxypropan-2-amine has a molecular weight of 295.85 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-(2-ethylcyclohexyl)oxypropan-2-amine is sourced from PubChem (CID 63457119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).