1-[(5-chloro-2-fluorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol

C16H23ClFNO — CID 13233400

IUPAC1-[(5-chloro-2-fluorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol
SMILESCN(C)CC1CCCCC1(O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C16H23ClFNO/c1-19(2)11-13-5-3-4-8-16(13,20)10-12-9-14(17)6-7-15(12)18/h6-7,9,13,20H,3-5,8,10-11H2,1-2H3
InChIKeySDGSUEAUGIKVRT-UHFFFAOYSA-N
MW299.82 g/mol
LogP3.50
Rot. Bonds4

About 1-[(5-chloro-2-fluorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol

1-[(5-chloro-2-fluorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol (PubChem CID 13233400) has the molecular formula C16H23ClFNO and a molecular weight of 299.82 g/mol. Its IUPAC name is 1-[(5-chloro-2-fluorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(5-chloro-2-fluorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol
PubChem CID13233400
Molecular FormulaC16H23ClFNO
Molecular Weight299.82 g/mol
Exact Mass299.15
IUPAC Name1-[(5-chloro-2-fluorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol
SMILESCN(C)CC1CCCCC1(O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C16H23ClFNO/c1-19(2)11-13-5-3-4-8-16(13,20)10-12-9-14(17)6-7-15(12)18/h6-7,9,13,20H,3-5,8,10-11H2,1-2H3
InChIKeySDGSUEAUGIKVRT-UHFFFAOYSA-N
XLogP3.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Chlophedianol
CID 2795
Clobutinol
CID 26937
Clobutinol Hydrochloride
CID 92876
WY 45,818
CID 132499
1-[1-(3,4-Dichloro-phenyl)-2-dimethylamino-ethyl]-cyclohexanol(HCl)
CID 146431
1-[1-(3-Chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-OL
CID 10265758
Cyclohexanol, 1-[1-(3-chlorophenyl)-2-(4-methyl-1-piperazinyl)ethyl]-
CID 10314993
1-(1-(4-Chlorophenyl)-2-(dimethylamino)ethyl)cyclohexanol
CID 13520310
1-[1-(3-Chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride
CID 24895127
1-[(1S)-1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol
CID 24895131
Clofedanol, (R)-
CID 688422
Cyclohexanol, 1-(m-chlorophenyl)-2-(dimethylaminomethyl)-
CID 3056581

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol (CID 13233400) is 1-[(5-chloro-2-fluorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(5-chloro-2-fluorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(5-chloro-2-fluorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol is CN(C)CC1CCCCC1(O)Cc1cc(Cl)ccc1F.
What is the InChIKey of 1-[(5-chloro-2-fluorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol?
The InChIKey is SDGSUEAUGIKVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFNO/c1-19(2)11-13-5-3-4-8-16(13,20)10-12-9-14(17)6-7-15(12)18/h6-7,9,13,20H,3-5,8,10-11H2,1-2H3.
What are the key properties of 1-[(5-chloro-2-fluorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol?
1-[(5-chloro-2-fluorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol has a molecular weight of 299.82 g/mol, XLogP of 3.50, 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-fluorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 13233400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).