[4-[cyclohexyl(ethyl)amino]-3,5-difluorophenyl]methanol

C15H21F2NO — CID 63078093

IUPAC[4-[cyclohexyl(ethyl)amino]-3,5-difluorophenyl]methanol
SMILESCCN(c1c(F)cc(CO)cc1F)C1CCCCC1
InChIInChI=1S/C15H21F2NO/c1-2-18(12-6-4-3-5-7-12)15-13(16)8-11(10-19)9-14(15)17/h8-9,12,19H,2-7,10H2,1H3
InChIKeyCXQVCFKTEOOKDM-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.62
Rot. Bonds4

About [4-[cyclohexyl(ethyl)amino]-3,5-difluorophenyl]methanol

[4-[cyclohexyl(ethyl)amino]-3,5-difluorophenyl]methanol (PubChem CID 63078093) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is [4-[cyclohexyl(ethyl)amino]-3,5-difluorophenyl]methanol.

Molecular Properties

Compound Name[4-[cyclohexyl(ethyl)amino]-3,5-difluorophenyl]methanol
PubChem CID63078093
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name[4-[cyclohexyl(ethyl)amino]-3,5-difluorophenyl]methanol
SMILESCCN(c1c(F)cc(CO)cc1F)C1CCCCC1
InChIInChI=1S/C15H21F2NO/c1-2-18(12-6-4-3-5-7-12)15-13(16)8-11(10-19)9-14(15)17/h8-9,12,19H,2-7,10H2,1H3
InChIKeyCXQVCFKTEOOKDM-UHFFFAOYSA-N
XLogP3.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-N-cyclohexyl-N-ethyl-2,6-difluoroaniline
CID 63540811
N-cyclopentyl-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline
CID 63551153
[4-[cyclopropyl(2-methylpropyl)amino]-3,5-difluorophenyl]methanol
CID 63076878
N-cyclopropyl-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline
CID 63051956
2-[N-cyclopentyl-2,6-difluoro-4-(methylaminomethyl)anilino]ethanol
CID 63076112
[4-[cyclobutylmethyl(methyl)amino]-3,5-difluorophenyl]methanol
CID 63077755
[6-[cyclopentyl(ethyl)amino]-5-methyl-3-pyridinyl]methanol
CID 80631422
N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-ethyl-2,6-difluoroaniline
CID 63051957
2-(4-amino-N-cyclohexyl-2,6-difluoroanilino)ethanol
CID 54993772
N-cyclohexyl-N-ethyl-4-fluoroaniline
CID 57205530
N-[4-(chloromethyl)-2,6-difluorophenyl]-N-methylcycloheptanamine
CID 63540066
4-(2-aminoethyl)-N-cyclohexyl-N-ethyl-2-fluoroaniline
CID 63783721

Frequently Asked Questions

What is the IUPAC name of [4-[cyclohexyl(ethyl)amino]-3,5-difluorophenyl]methanol?
The IUPAC name of [4-[cyclohexyl(ethyl)amino]-3,5-difluorophenyl]methanol (CID 63078093) is [4-[cyclohexyl(ethyl)amino]-3,5-difluorophenyl]methanol.
What is the SMILES notation for [4-[cyclohexyl(ethyl)amino]-3,5-difluorophenyl]methanol?
The canonical SMILES for [4-[cyclohexyl(ethyl)amino]-3,5-difluorophenyl]methanol is CCN(c1c(F)cc(CO)cc1F)C1CCCCC1.
What is the InChIKey of [4-[cyclohexyl(ethyl)amino]-3,5-difluorophenyl]methanol?
The InChIKey is CXQVCFKTEOOKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-2-18(12-6-4-3-5-7-12)15-13(16)8-11(10-19)9-14(15)17/h8-9,12,19H,2-7,10H2,1H3.
What are the key properties of [4-[cyclohexyl(ethyl)amino]-3,5-difluorophenyl]methanol?
[4-[cyclohexyl(ethyl)amino]-3,5-difluorophenyl]methanol has a molecular weight of 269.33 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[cyclohexyl(ethyl)amino]-3,5-difluorophenyl]methanol is sourced from PubChem (CID 63078093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).