1-(5-chloro-2-methoxyphenyl)-4-propylcyclohexan-1-amine

C16H24ClNO — CID 63407297

IUPAC1-(5-chloro-2-methoxyphenyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)(c2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C16H24ClNO/c1-3-4-12-7-9-16(18,10-8-12)14-11-13(17)5-6-15(14)19-2/h5-6,11-12H,3-4,7-10,18H2,1-2H3
InChIKeyKZPKZXGIDLPCDB-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.49
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-4-propylcyclohexan-1-amine

1-(5-chloro-2-methoxyphenyl)-4-propylcyclohexan-1-amine (PubChem CID 63407297) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-4-propylcyclohexan-1-amine
PubChem CID63407297
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name1-(5-chloro-2-methoxyphenyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)(c2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C16H24ClNO/c1-3-4-12-7-9-16(18,10-8-12)14-11-13(17)5-6-15(14)19-2/h5-6,11-12H,3-4,7-10,18H2,1-2H3
InChIKeyKZPKZXGIDLPCDB-UHFFFAOYSA-N
XLogP4.49
TPSA35.25 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 ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63407771
1-(5-chloro-2-methoxyphenyl)cyclobutan-1-amine
CID 43146587
1-(3-fluoro-4-methoxyphenyl)-4-propylcycloheptan-1-amine
CID 65086410
2-(5-chloro-2-methoxyphenyl)spiro[3.4]octan-2-amine
CID 65002776
1-(4-methoxyphenyl)-4-propylcyclohexan-1-amine
CID 54919370
3-ethyl-1-(5-fluoro-2-methoxyphenyl)cyclopentan-1-amine
CID 82769169
2-(5-chloro-2-methoxyphenyl)-1-(4-propylcyclohexyl)ethanamine
CID 65423175
1-(4-chloro-2-methoxyphenyl)-2-propylcyclopropan-1-amine
CID 106819819
1-[(4-chloro-2-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 114853406
1-(5-chloro-2-methoxyphenyl)-3-phenylcyclobutan-1-amine
CID 65014865
1-(5-chloro-2-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine
CID 83692070
1-(2-methoxy-5-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63407807

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-4-propylcyclohexan-1-amine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-4-propylcyclohexan-1-amine (CID 63407297) is 1-(5-chloro-2-methoxyphenyl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-4-propylcyclohexan-1-amine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-4-propylcyclohexan-1-amine is CCCC1CCC(N)(c2cc(Cl)ccc2OC)CC1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-4-propylcyclohexan-1-amine?
The InChIKey is KZPKZXGIDLPCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-3-4-12-7-9-16(18,10-8-12)14-11-13(17)5-6-15(14)19-2/h5-6,11-12H,3-4,7-10,18H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-4-propylcyclohexan-1-amine?
1-(5-chloro-2-methoxyphenyl)-4-propylcyclohexan-1-amine has a molecular weight of 281.83 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 63407297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).