[2-amino-2-(2-fluorophenyl)cyclohexyl]methanol;phenylmethanol

C20H26FNO2 — CID 143834699

IUPAC[2-amino-2-(2-fluorophenyl)cyclohexyl]methanol;phenylmethanol
SMILESNC1(c2ccccc2F)CCCCC1CO.OCc1ccccc1
InChIInChI=1S/C13H18FNO.C7H8O/c14-12-7-2-1-6-11(12)13(15)8-4-3-5-10(13)9-16;8-6-7-4-2-1-3-5-7/h1-2,6-7,10,16H,3-5,8-9,15H2;1-5,8H,6H2
InChIKeyVPASJQNPXVRYBI-UHFFFAOYSA-N
MW331.43 g/mol
LogP3.34
Rot. Bonds3

About [2-amino-2-(2-fluorophenyl)cyclohexyl]methanol;phenylmethanol

[2-amino-2-(2-fluorophenyl)cyclohexyl]methanol;phenylmethanol (PubChem CID 143834699) has the molecular formula C20H26FNO2 and a molecular weight of 331.43 g/mol. Its IUPAC name is [2-amino-2-(2-fluorophenyl)cyclohexyl]methanol;phenylmethanol.

Molecular Properties

Compound Name[2-amino-2-(2-fluorophenyl)cyclohexyl]methanol;phenylmethanol
PubChem CID143834699
Molecular FormulaC20H26FNO2
Molecular Weight331.43 g/mol
Exact Mass331.19
IUPAC Name[2-amino-2-(2-fluorophenyl)cyclohexyl]methanol;phenylmethanol
SMILESNC1(c2ccccc2F)CCCCC1CO.OCc1ccccc1
InChIInChI=1S/C13H18FNO.C7H8O/c14-12-7-2-1-6-11(12)13(15)8-4-3-5-10(13)9-16;8-6-7-4-2-1-3-5-7/h1-2,6-7,10,16H,3-5,8-9,15H2;1-5,8H,6H2
InChIKeyVPASJQNPXVRYBI-UHFFFAOYSA-N
XLogP3.34
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-2,3-dimethylcyclohexan-1-amine
CID 64774969
[(2S,4R,5S)-5-amino-5-(2-fluorophenyl)-2-methyloxan-4-yl]methanol
CID 58406100
[(2S,4R,5S)-5-amino-2-ethyl-5-(2-fluorophenyl)oxan-4-yl]methanol
CID 58406074
[(3R,4S,6S)-4-amino-6-ethyl-4-(2-fluorophenyl)oxan-3-yl]methanol
CID 59621338
1-cyclohexyl-4-fluorobenzene;phenylmethanol
CID 143134294
(1R)-2-cyclohexyl-2-(2-fluorophenyl)cyclopropan-1-amine
CID 105493410
[3-(1-aminocyclopentyl)-4-fluorophenyl]methanol
CID 117298948
2-tert-butyl-1-(2,3-difluorophenyl)cyclohexan-1-amine
CID 63987330
[(3R,4S)-4-amino-4-(2-fluorophenyl)-2-methyloxolan-3-yl]methanol
CID 67477643
1-benzyl-3-(2-fluorophenyl)piperidin-3-amine
CID 130137252
cyclopentane;phenylmethanol;titanium
CID 23229026
[(2S,3R,4S)-4-amino-4-(2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol
CID 66869282

Frequently Asked Questions

What is the IUPAC name of [2-amino-2-(2-fluorophenyl)cyclohexyl]methanol;phenylmethanol?
The IUPAC name of [2-amino-2-(2-fluorophenyl)cyclohexyl]methanol;phenylmethanol (CID 143834699) is [2-amino-2-(2-fluorophenyl)cyclohexyl]methanol;phenylmethanol.
What is the SMILES notation for [2-amino-2-(2-fluorophenyl)cyclohexyl]methanol;phenylmethanol?
The canonical SMILES for [2-amino-2-(2-fluorophenyl)cyclohexyl]methanol;phenylmethanol is NC1(c2ccccc2F)CCCCC1CO.OCc1ccccc1.
What is the InChIKey of [2-amino-2-(2-fluorophenyl)cyclohexyl]methanol;phenylmethanol?
The InChIKey is VPASJQNPXVRYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO.C7H8O/c14-12-7-2-1-6-11(12)13(15)8-4-3-5-10(13)9-16;8-6-7-4-2-1-3-5-7/h1-2,6-7,10,16H,3-5,8-9,15H2;1-5,8H,6H2.
What are the key properties of [2-amino-2-(2-fluorophenyl)cyclohexyl]methanol;phenylmethanol?
[2-amino-2-(2-fluorophenyl)cyclohexyl]methanol;phenylmethanol has a molecular weight of 331.43 g/mol, XLogP of 3.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-2-(2-fluorophenyl)cyclohexyl]methanol;phenylmethanol is sourced from PubChem (CID 143834699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).