4-[(2,5-difluorophenyl)-(methylamino)methyl]cyclohexan-1-ol

C14H19F2NO — CID 116957012

IUPAC4-[(2,5-difluorophenyl)-(methylamino)methyl]cyclohexan-1-ol
SMILESCNC(c1cc(F)ccc1F)C1CCC(O)CC1
InChIInChI=1S/C14H19F2NO/c1-17-14(9-2-5-11(18)6-3-9)12-8-10(15)4-7-13(12)16/h4,7-9,11,14,17-18H,2-3,5-6H2,1H3
InChIKeyNLTMSSXTVSLINO-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.78
Rot. Bonds3

About 4-[(2,5-difluorophenyl)-(methylamino)methyl]cyclohexan-1-ol

4-[(2,5-difluorophenyl)-(methylamino)methyl]cyclohexan-1-ol (PubChem CID 116957012) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 4-[(2,5-difluorophenyl)-(methylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(2,5-difluorophenyl)-(methylamino)methyl]cyclohexan-1-ol
PubChem CID116957012
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name4-[(2,5-difluorophenyl)-(methylamino)methyl]cyclohexan-1-ol
SMILESCNC(c1cc(F)ccc1F)C1CCC(O)CC1
InChIInChI=1S/C14H19F2NO/c1-17-14(9-2-5-11(18)6-3-9)12-8-10(15)4-7-13(12)16/h4,7-9,11,14,17-18H,2-3,5-6H2,1H3
InChIKeyNLTMSSXTVSLINO-UHFFFAOYSA-N
XLogP2.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,4-difluorophenyl)-(methylamino)methyl]cyclohexan-1-ol
CID 116957014
1-cyclopropyl-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 62791210
2-[[cyclopropyl-(2,5-difluorophenyl)methyl]amino]acetonitrile
CID 84598890
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 63415562
1-(2-chloro-5-fluorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 105394836
[(2,5-difluorophenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105210581
1-(5-chloro-2-fluorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 114886204
N-[cyclopropyl-(2,5-difluorophenyl)methyl]oxan-4-amine
CID 84589355
[cyclooctyl-(2,5-difluorophenyl)methyl]hydrazine
CID 105255093
1-(5-fluoro-2-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 63935282
4-[(2,4-difluorophenyl)-(methylamino)methyl]cyclohexan-1-one
CID 116957084
4-[methylamino-(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol
CID 116957010

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-difluorophenyl)-(methylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[(2,5-difluorophenyl)-(methylamino)methyl]cyclohexan-1-ol (CID 116957012) is 4-[(2,5-difluorophenyl)-(methylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(2,5-difluorophenyl)-(methylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(2,5-difluorophenyl)-(methylamino)methyl]cyclohexan-1-ol is CNC(c1cc(F)ccc1F)C1CCC(O)CC1.
What is the InChIKey of 4-[(2,5-difluorophenyl)-(methylamino)methyl]cyclohexan-1-ol?
The InChIKey is NLTMSSXTVSLINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-17-14(9-2-5-11(18)6-3-9)12-8-10(15)4-7-13(12)16/h4,7-9,11,14,17-18H,2-3,5-6H2,1H3.
What are the key properties of 4-[(2,5-difluorophenyl)-(methylamino)methyl]cyclohexan-1-ol?
4-[(2,5-difluorophenyl)-(methylamino)methyl]cyclohexan-1-ol has a molecular weight of 255.31 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-difluorophenyl)-(methylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 116957012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).