1-(2-chloro-6-cyclohexyloxyphenyl)propan-2-amine

C15H22ClNO — CID 114321808

IUPAC1-(2-chloro-6-cyclohexyloxyphenyl)propan-2-amine
SMILESCC(N)Cc1c(Cl)cccc1OC1CCCCC1
InChIInChI=1S/C15H22ClNO/c1-11(17)10-13-14(16)8-5-9-15(13)18-12-6-3-2-4-7-12/h5,8-9,11-12H,2-4,6-7,10,17H2,1H3
InChIKeyZCSADKUDKGMXIH-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.94
Rot. Bonds4

About 1-(2-chloro-6-cyclohexyloxyphenyl)propan-2-amine

1-(2-chloro-6-cyclohexyloxyphenyl)propan-2-amine (PubChem CID 114321808) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-(2-chloro-6-cyclohexyloxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-cyclohexyloxyphenyl)propan-2-amine
PubChem CID114321808
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name1-(2-chloro-6-cyclohexyloxyphenyl)propan-2-amine
SMILESCC(N)Cc1c(Cl)cccc1OC1CCCCC1
InChIInChI=1S/C15H22ClNO/c1-11(17)10-13-14(16)8-5-9-15(13)18-12-6-3-2-4-7-12/h5,8-9,11-12H,2-4,6-7,10,17H2,1H3
InChIKeyZCSADKUDKGMXIH-UHFFFAOYSA-N
XLogP3.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-6-(cyclopentylmethoxy)phenyl]propan-2-amine
CID 113277136
1-[2-chloro-6-(3-ethylcyclohexyl)oxyphenyl]butan-2-amine
CID 114322092
1-(2-chloro-6-cyclohexylsulfanylphenyl)propan-2-amine
CID 55238553
1-(5-chloro-2-cycloheptyloxyphenyl)propan-2-amine
CID 82922401
1-[2-chloro-6-(2-methylpropoxy)phenyl]propan-2-amine
CID 114321739
1-[2-chloro-6-(cyclohexylmethoxy)phenyl]butan-2-amine
CID 114322036
1,2-dichloro-3-cyclobutyloxybenzene
CID 130038402
(1S)-1-(3-chloro-4-cyclopentyloxyphenyl)ethanamine
CID 78937707
2-chloro-6-cyclohexyloxy-N'-hydroxybenzenecarboximidamide
CID 62496519
1-[2-chloro-6-(4-ethoxyphenoxy)phenyl]propan-2-amine
CID 63816825
1-[2-chloro-6-(4-chloro-3,5-dimethylphenoxy)phenyl]propan-2-amine
CID 63803488
1-[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]propan-2-amine
CID 114321838

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-cyclohexyloxyphenyl)propan-2-amine?
The IUPAC name of 1-(2-chloro-6-cyclohexyloxyphenyl)propan-2-amine (CID 114321808) is 1-(2-chloro-6-cyclohexyloxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-cyclohexyloxyphenyl)propan-2-amine?
The canonical SMILES for 1-(2-chloro-6-cyclohexyloxyphenyl)propan-2-amine is CC(N)Cc1c(Cl)cccc1OC1CCCCC1.
What is the InChIKey of 1-(2-chloro-6-cyclohexyloxyphenyl)propan-2-amine?
The InChIKey is ZCSADKUDKGMXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-11(17)10-13-14(16)8-5-9-15(13)18-12-6-3-2-4-7-12/h5,8-9,11-12H,2-4,6-7,10,17H2,1H3.
What are the key properties of 1-(2-chloro-6-cyclohexyloxyphenyl)propan-2-amine?
1-(2-chloro-6-cyclohexyloxyphenyl)propan-2-amine has a molecular weight of 267.80 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-cyclohexyloxyphenyl)propan-2-amine is sourced from PubChem (CID 114321808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).