1-(2-amino-5-fluorophenyl)-3-cyclohexylpropan-1-ol

C15H22FNO — CID 114192030

IUPAC1-(2-amino-5-fluorophenyl)-3-cyclohexylpropan-1-ol
SMILESNc1ccc(F)cc1C(O)CCC1CCCCC1
InChIInChI=1S/C15H22FNO/c16-12-7-8-14(17)13(10-12)15(18)9-6-11-4-2-1-3-5-11/h7-8,10-11,15,18H,1-6,9,17H2
InChIKeyBLQYCZURIXWPBX-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.80
Rot. Bonds4

About 1-(2-amino-5-fluorophenyl)-3-cyclohexylpropan-1-ol

1-(2-amino-5-fluorophenyl)-3-cyclohexylpropan-1-ol (PubChem CID 114192030) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-(2-amino-5-fluorophenyl)-3-cyclohexylpropan-1-ol.

Molecular Properties

Compound Name1-(2-amino-5-fluorophenyl)-3-cyclohexylpropan-1-ol
PubChem CID114192030
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-(2-amino-5-fluorophenyl)-3-cyclohexylpropan-1-ol
SMILESNc1ccc(F)cc1C(O)CCC1CCCCC1
InChIInChI=1S/C15H22FNO/c16-12-7-8-14(17)13(10-12)15(18)9-6-11-4-2-1-3-5-11/h7-8,10-11,15,18H,1-6,9,17H2
InChIKeyBLQYCZURIXWPBX-UHFFFAOYSA-N
XLogP3.80
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-cyclohexyl-1-(2,4-difluorophenyl)propan-1-ol
CID 61088667
3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-ol
CID 115794441
3-cyclopentyl-1-(2,3,4-trifluorophenyl)propan-1-ol
CID 115797110
1-(1-bromo-3-cyclohexylpropyl)-2,4-difluorobenzene
CID 63441829
3-cyclohexyl-1-(2,5-dimethylphenyl)propan-1-ol
CID 55200190
2-cyclopentyl-1-(2,5-difluorophenyl)ethanol
CID 61101489
3-cyclopentyl-1-(2,4-difluoro-5-methylphenyl)propan-1-ol
CID 79730321
1-(2-amino-5-fluorophenyl)-3-methylbutan-1-ol
CID 82685546
2-[cyclopentyl(hydrazinyl)methyl]-4-fluoroaniline
CID 105263116
1-(2-amino-5-fluorophenyl)-2-methoxyethanol
CID 82685227
2-[(1S)-1-amino-2-cyclopropylethyl]-4-fluoroaniline
CID 130820768
[3-cyclohexyl-1-(2,4,6-trifluorophenyl)propyl]hydrazine
CID 114193435

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluorophenyl)-3-cyclohexylpropan-1-ol?
The IUPAC name of 1-(2-amino-5-fluorophenyl)-3-cyclohexylpropan-1-ol (CID 114192030) is 1-(2-amino-5-fluorophenyl)-3-cyclohexylpropan-1-ol.
What is the SMILES notation for 1-(2-amino-5-fluorophenyl)-3-cyclohexylpropan-1-ol?
The canonical SMILES for 1-(2-amino-5-fluorophenyl)-3-cyclohexylpropan-1-ol is Nc1ccc(F)cc1C(O)CCC1CCCCC1.
What is the InChIKey of 1-(2-amino-5-fluorophenyl)-3-cyclohexylpropan-1-ol?
The InChIKey is BLQYCZURIXWPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c16-12-7-8-14(17)13(10-12)15(18)9-6-11-4-2-1-3-5-11/h7-8,10-11,15,18H,1-6,9,17H2.
What are the key properties of 1-(2-amino-5-fluorophenyl)-3-cyclohexylpropan-1-ol?
1-(2-amino-5-fluorophenyl)-3-cyclohexylpropan-1-ol has a molecular weight of 251.34 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-fluorophenyl)-3-cyclohexylpropan-1-ol is sourced from PubChem (CID 114192030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).