[1-[(2,6-difluoro-3-methylanilino)methyl]cyclohexyl]methanol

C15H21F2NO — CID 82818537

IUPAC[1-[(2,6-difluoro-3-methylanilino)methyl]cyclohexyl]methanol
SMILESCc1ccc(F)c(NCC2(CO)CCCCC2)c1F
InChIInChI=1S/C15H21F2NO/c1-11-5-6-12(16)14(13(11)17)18-9-15(10-19)7-3-2-4-8-15/h5-6,18-19H,2-4,7-10H2,1H3
InChIKeyMGVKVVUYMWAEKF-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.63
Rot. Bonds4

About [1-[(2,6-difluoro-3-methylanilino)methyl]cyclohexyl]methanol

[1-[(2,6-difluoro-3-methylanilino)methyl]cyclohexyl]methanol (PubChem CID 82818537) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is [1-[(2,6-difluoro-3-methylanilino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(2,6-difluoro-3-methylanilino)methyl]cyclohexyl]methanol
PubChem CID82818537
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name[1-[(2,6-difluoro-3-methylanilino)methyl]cyclohexyl]methanol
SMILESCc1ccc(F)c(NCC2(CO)CCCCC2)c1F
InChIInChI=1S/C15H21F2NO/c1-11-5-6-12(16)14(13(11)17)18-9-15(10-19)7-3-2-4-8-15/h5-6,18-19H,2-4,7-10H2,1H3
InChIKeyMGVKVVUYMWAEKF-UHFFFAOYSA-N
XLogP3.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(2,6-difluoro-3-methylanilino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(2,6-difluoro-3-methylanilino)methyl]cyclohexyl]methanol (CID 82818537) is [1-[(2,6-difluoro-3-methylanilino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(2,6-difluoro-3-methylanilino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(2,6-difluoro-3-methylanilino)methyl]cyclohexyl]methanol is Cc1ccc(F)c(NCC2(CO)CCCCC2)c1F.
What is the InChIKey of [1-[(2,6-difluoro-3-methylanilino)methyl]cyclohexyl]methanol?
The InChIKey is MGVKVVUYMWAEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-11-5-6-12(16)14(13(11)17)18-9-15(10-19)7-3-2-4-8-15/h5-6,18-19H,2-4,7-10H2,1H3.
What are the key properties of [1-[(2,6-difluoro-3-methylanilino)methyl]cyclohexyl]methanol?
[1-[(2,6-difluoro-3-methylanilino)methyl]cyclohexyl]methanol has a molecular weight of 269.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,6-difluoro-3-methylanilino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 82818537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).