[2-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]methanol

C15H21F2NO — CID 103784951

IUPAC[2-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]methanol
SMILESCC(NC1CCCCC1CO)c1cc(F)ccc1F
InChIInChI=1S/C15H21F2NO/c1-10(13-8-12(16)6-7-14(13)17)18-15-5-3-2-4-11(15)9-19/h6-8,10-11,15,18-19H,2-5,9H2,1H3
InChIKeyKDKWLFCFGRKHNR-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.17
Rot. Bonds4

About [2-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]methanol

[2-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]methanol (PubChem CID 103784951) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is [2-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]methanol
PubChem CID103784951
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name[2-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]methanol
SMILESCC(NC1CCCCC1CO)c1cc(F)ccc1F
InChIInChI=1S/C15H21F2NO/c1-10(13-8-12(16)6-7-14(13)17)18-15-5-3-2-4-11(15)9-19/h6-8,10-11,15,18-19H,2-5,9H2,1H3
InChIKeyKDKWLFCFGRKHNR-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-2-(benzylamino)butan-1-ol
CID 927306
(+/-)-threo-3-Fluororitalinol
CID 52947218
(2R)-2-(benzylamino)-3-phenylpropan-1-ol
CID 10900780
2-(Benzylamino)-2-phenylethan-1-ol
CID 234875
(+)-cis-2-Benzylaminocyclohexanemethanol
CID 853687
(-)-cis-2-Benzylaminocyclohexanemethanol
CID 853690
(2S)-2-(benzylamino)butan-1-ol
CID 927305
(1R,2R)-2-(benzylamino)cyclohexanol
CID 2724650
3-(Benzylamino)butan-1-ol
CID 10464904
3-Phenyl-2-{[2-(trifluoromethyl)benzyl]amino}-1-propanol
CID 15944997
1-Propanol, 2-(benzylamino)-3-phenyl-, DL-
CID 209452
(R)-(-)-N-Benzyl-2-phenylglycinol
CID 10656907

Frequently Asked Questions

What is the IUPAC name of [2-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]methanol?
The IUPAC name of [2-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]methanol (CID 103784951) is [2-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]methanol.
What is the SMILES notation for [2-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]methanol?
The canonical SMILES for [2-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]methanol is CC(NC1CCCCC1CO)c1cc(F)ccc1F.
What is the InChIKey of [2-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]methanol?
The InChIKey is KDKWLFCFGRKHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-10(13-8-12(16)6-7-14(13)17)18-15-5-3-2-4-11(15)9-19/h6-8,10-11,15,18-19H,2-5,9H2,1H3.
What are the key properties of [2-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]methanol?
[2-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]methanol has a molecular weight of 269.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]methanol is sourced from PubChem (CID 103784951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).