1-[(3,5-difluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol

C15H21F2NO — CID 105410690

IUPAC1-[(3,5-difluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol
SMILESCCNC1CCC(O)(Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C15H21F2NO/c1-2-18-14-3-5-15(19,6-4-14)10-11-7-12(16)9-13(17)8-11/h7-9,14,18-19H,2-6,10H2,1H3
InChIKeyOXIJEFZEPUPPIS-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.79
Rot. Bonds4

About 1-[(3,5-difluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol

1-[(3,5-difluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol (PubChem CID 105410690) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol
PubChem CID105410690
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name1-[(3,5-difluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol
SMILESCCNC1CCC(O)(Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C15H21F2NO/c1-2-18-14-3-5-15(19,6-4-14)10-11-7-12(16)9-13(17)8-11/h7-9,14,18-19H,2-6,10H2,1H3
InChIKeyOXIJEFZEPUPPIS-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chloro-2-fluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol
CID 114861684
1-(3,5-difluorophenyl)-N-ethylpiperidin-4-amine
CID 43315453
1-[(4-chloro-3-fluorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol
CID 107889043
4-(ethylamino)-1-[(5-ethyl-2-pyridinyl)methyl]cyclohexan-1-ol
CID 79738887
1-[(3-bromo-5-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 79701739
1-[(3-bromo-5-fluorophenyl)methyl]-4-methylcycloheptan-1-ol
CID 79701481
1-[(3-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol
CID 79701214
1-[(5-bromo-2-pyridinyl)methyl]-4-(ethylamino)cyclohexan-1-ol
CID 104813045
1-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol
CID 105402555
1-[(3-bromo-5-fluorophenyl)methyl]-4-tert-butylcycloheptan-1-ol
CID 79699253
N-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]piperidin-4-amine
CID 114084046
2-tert-butyl-1-[(3,5-difluorophenyl)methyl]cyclohexan-1-ol
CID 105402426

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol (CID 105410690) is 1-[(3,5-difluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol is CCNC1CCC(O)(Cc2cc(F)cc(F)c2)CC1.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol?
The InChIKey is OXIJEFZEPUPPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-2-18-14-3-5-15(19,6-4-14)10-11-7-12(16)9-13(17)8-11/h7-9,14,18-19H,2-6,10H2,1H3.
What are the key properties of 1-[(3,5-difluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol?
1-[(3,5-difluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol has a molecular weight of 269.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol is sourced from PubChem (CID 105410690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).