2-(3-chlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol

C14H20ClNO — CID 68673871

IUPAC2-(3-chlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol
SMILESCNCC1(c2cccc(Cl)c2)CCCCC1O
InChIInChI=1S/C14H20ClNO/c1-16-10-14(8-3-2-7-13(14)17)11-5-4-6-12(15)9-11/h4-6,9,13,16-17H,2-3,7-8,10H2,1H3
InChIKeyPYTCFEPIINEEBY-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.73
Rot. Bonds3

About 2-(3-chlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol

2-(3-chlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol (PubChem CID 68673871) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol
PubChem CID68673871
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-(3-chlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol
SMILESCNCC1(c2cccc(Cl)c2)CCCCC1O
InChIInChI=1S/C14H20ClNO/c1-16-10-14(8-3-2-7-13(14)17)11-5-4-6-12(15)9-11/h4-6,9,13,16-17H,2-3,7-8,10H2,1H3
InChIKeyPYTCFEPIINEEBY-UHFFFAOYSA-N
XLogP2.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-Chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-OL
CID 10265758
(-)-1-[(1R)-1-(3-Chlorophenyl)-2-(dimethylamino)ethyl]cyclohexanol
CID 24895014
(+)-1-[(1S)-1-(3-Chlorophenyl)-2-(dimethylamino)ethyl]cyclohexanol
CID 24895015
1-(3-Chlorophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol;hydrochloride
CID 20542460
[1-(3-Chlorophenyl)-4-methoxycyclohexyl]methanamine
CID 71184607
2-(4-Chloro-3-fluorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol
CID 68673763
(1S)-2-(3-chloro-4-fluorophenyl)-3-(methylamino)-1-phenylpropan-1-ol
CID 118689233
2-(4-Chloro-3-fluorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol
CID 68673525
1-[1-(3,4-dichlorophenyl)-2-methoxycyclohexyl]-N-methylmethanamine
CID 58954877
4-(3,4-Dichlorophenyl)-4-(methylaminomethyl)cyclohexan-1-ol
CID 58954896
trans-(1R,2S)-2-(aminomethyl)-2-(3,4-dichlorophenyl)cyclohexan-1-ol
CID 58954899
3-(3,4-Dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol
CID 58954919

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol?
The IUPAC name of 2-(3-chlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol (CID 68673871) is 2-(3-chlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol.
What is the SMILES notation for 2-(3-chlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol?
The canonical SMILES for 2-(3-chlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol is CNCC1(c2cccc(Cl)c2)CCCCC1O.
What is the InChIKey of 2-(3-chlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol?
The InChIKey is PYTCFEPIINEEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-16-10-14(8-3-2-7-13(14)17)11-5-4-6-12(15)9-11/h4-6,9,13,16-17H,2-3,7-8,10H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol?
2-(3-chlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol has a molecular weight of 253.77 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol is sourced from PubChem (CID 68673871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).