[3-chloro-2-(3-methylsulfonylcyclohexyl)oxyphenyl]methanamine

C14H20ClNO3S — CID 115951963

IUPAC[3-chloro-2-(3-methylsulfonylcyclohexyl)oxyphenyl]methanamine
SMILESCS(=O)(=O)C1CCCC(Oc2c(Cl)cccc2CN)C1
InChIInChI=1S/C14H20ClNO3S/c1-20(17,18)12-6-3-5-11(8-12)19-14-10(9-16)4-2-7-13(14)15/h2,4,7,11-12H,3,5-6,8-9,16H2,1H3
InChIKeyUVTQPVZVEBZVPE-UHFFFAOYSA-N
MW317.84 g/mol
LogP2.53
Rot. Bonds4

About [3-chloro-2-(3-methylsulfonylcyclohexyl)oxyphenyl]methanamine

[3-chloro-2-(3-methylsulfonylcyclohexyl)oxyphenyl]methanamine (PubChem CID 115951963) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is [3-chloro-2-(3-methylsulfonylcyclohexyl)oxyphenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-2-(3-methylsulfonylcyclohexyl)oxyphenyl]methanamine
PubChem CID115951963
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name[3-chloro-2-(3-methylsulfonylcyclohexyl)oxyphenyl]methanamine
SMILESCS(=O)(=O)C1CCCC(Oc2c(Cl)cccc2CN)C1
InChIInChI=1S/C14H20ClNO3S/c1-20(17,18)12-6-3-5-11(8-12)19-14-10(9-16)4-2-7-13(14)15/h2,4,7,11-12H,3,5-6,8-9,16H2,1H3
InChIKeyUVTQPVZVEBZVPE-UHFFFAOYSA-N
XLogP2.53
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-2-(chloromethyl)-3-(3-methylsulfonylcyclohexyl)oxybenzene
CID 114320751
[3-chloro-2-(3-methoxycyclohexyl)oxyphenyl]methanol
CID 112612756
4-chloro-1-(3-methylsulfonylcyclohexyl)indole
CID 116623808
(2-cyclopentyloxy-3-methoxyphenyl)methanamine
CID 43471488
[2-(3-ethylcyclohexyl)oxy-3-methylphenyl]methanamine
CID 112607468
N-[(3-chloro-2-cycloheptyloxyphenyl)methyl]propan-2-amine
CID 115954562
[3,5-dibromo-4-(3-methylsulfonylcyclohexyl)oxyphenyl]methanol
CID 107738776
2-fluoro-6-(3-methylsulfonylcyclohexyl)oxybenzoic acid
CID 107013979
(3,5-dichloro-2-cyclohexyloxyphenyl)methanamine
CID 43515648
N-[[3-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
CID 115953723
N-[[3-chloro-2-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
CID 115953858
1-chloro-2-cyclopentyloxy-3-fluorobenzene
CID 130057769

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-(3-methylsulfonylcyclohexyl)oxyphenyl]methanamine?
The IUPAC name of [3-chloro-2-(3-methylsulfonylcyclohexyl)oxyphenyl]methanamine (CID 115951963) is [3-chloro-2-(3-methylsulfonylcyclohexyl)oxyphenyl]methanamine.
What is the SMILES notation for [3-chloro-2-(3-methylsulfonylcyclohexyl)oxyphenyl]methanamine?
The canonical SMILES for [3-chloro-2-(3-methylsulfonylcyclohexyl)oxyphenyl]methanamine is CS(=O)(=O)C1CCCC(Oc2c(Cl)cccc2CN)C1.
What is the InChIKey of [3-chloro-2-(3-methylsulfonylcyclohexyl)oxyphenyl]methanamine?
The InChIKey is UVTQPVZVEBZVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-20(17,18)12-6-3-5-11(8-12)19-14-10(9-16)4-2-7-13(14)15/h2,4,7,11-12H,3,5-6,8-9,16H2,1H3.
What are the key properties of [3-chloro-2-(3-methylsulfonylcyclohexyl)oxyphenyl]methanamine?
[3-chloro-2-(3-methylsulfonylcyclohexyl)oxyphenyl]methanamine has a molecular weight of 317.84 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-(3-methylsulfonylcyclohexyl)oxyphenyl]methanamine is sourced from PubChem (CID 115951963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).