2-(4-chloro-3-fluorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol

C14H19ClFNO — CID 68673525

IUPAC2-(4-chloro-3-fluorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol
SMILESCNCC1(c2ccc(Cl)c(F)c2)CCCCC1O
InChIInChI=1S/C14H19ClFNO/c1-17-9-14(7-3-2-4-13(14)18)10-5-6-11(15)12(16)8-10/h5-6,8,13,17-18H,2-4,7,9H2,1H3
InChIKeyMFLJGXGFZNDAAP-UHFFFAOYSA-N
MW271.76 g/mol
LogP2.87
Rot. Bonds3

About 2-(4-chloro-3-fluorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol

2-(4-chloro-3-fluorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol (PubChem CID 68673525) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol
PubChem CID68673525
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name2-(4-chloro-3-fluorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol
SMILESCNCC1(c2ccc(Cl)c(F)c2)CCCCC1O
InChIInChI=1S/C14H19ClFNO/c1-17-9-14(7-3-2-4-13(14)18)10-5-6-11(15)12(16)8-10/h5-6,8,13,17-18H,2-4,7,9H2,1H3
InChIKeyMFLJGXGFZNDAAP-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Chloro-3-fluorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol
CID 68673763
2-(Methylaminomethyl)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 68674454
(1S)-2-(3-chloro-4-fluorophenyl)-3-(methylamino)-1-phenylpropan-1-ol
CID 118689233
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
2-(3,4-Dichlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol
CID 58954975
2-(3,4-Dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol
CID 68673465
2-(3-Chlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol
CID 68673871
2-(4-Chlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol
CID 68675092
(1S,2S)-2-(4-chlorophenyl)-3-(methylamino)-1-phenylpropan-1-ol
CID 118689703

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol (CID 68673525) is 2-(4-chloro-3-fluorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol is CNCC1(c2ccc(Cl)c(F)c2)CCCCC1O.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol?
The InChIKey is MFLJGXGFZNDAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-17-9-14(7-3-2-4-13(14)18)10-5-6-11(15)12(16)8-10/h5-6,8,13,17-18H,2-4,7,9H2,1H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol?
2-(4-chloro-3-fluorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol has a molecular weight of 271.76 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol is sourced from PubChem (CID 68673525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).