3-[(4-fluorocyclohexyl)amino]propan-1-ol

C9H18FNO — CID 129320214

IUPAC3-[(4-fluorocyclohexyl)amino]propan-1-ol
SMILESOCCCNC1CCC(F)CC1
InChIInChI=1S/C9H18FNO/c10-8-2-4-9(5-3-8)11-6-1-7-12/h8-9,11-12H,1-7H2
InChIKeyQRXCOVRJGVTMFC-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.24
Rot. Bonds4

About 3-[(4-fluorocyclohexyl)amino]propan-1-ol

3-[(4-fluorocyclohexyl)amino]propan-1-ol (PubChem CID 129320214) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-[(4-fluorocyclohexyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(4-fluorocyclohexyl)amino]propan-1-ol
PubChem CID129320214
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name3-[(4-fluorocyclohexyl)amino]propan-1-ol
SMILESOCCCNC1CCC(F)CC1
InChIInChI=1S/C9H18FNO/c10-8-2-4-9(5-3-8)11-6-1-7-12/h8-9,11-12H,1-7H2
InChIKeyQRXCOVRJGVTMFC-UHFFFAOYSA-N
XLogP1.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethanol, 2-(cyclohexylamino)-
CID 17827
4-Cyclohexylamino-butan-1-ol
CID 3144576
2-(Cyclohexylamino)butan-1-ol
CID 277605
3-(Cyclohexylamino)propan-1-ol hydrochloride
CID 23075591
Cyclohexylamino ethanol
CID 20285879
1-(Cyclohexylamino)propan-1-ol
CID 67071896
3-(Cyclohexylamino)propan-1-ol
CID 35737
2-(Cyclohexylamino)ethanol hydrochloride
CID 3016532
(2S)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoropropan-1-ol
CID 129247945
(2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoropropan-1-ol
CID 129247978
1-[(4-Aminocyclohexyl)amino]-3,3,3-trifluoropropan-1-ol
CID 129248192
2-[(4-Aminocyclohexyl)amino]-3,3,3-trifluoropropan-1-ol
CID 129275943

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorocyclohexyl)amino]propan-1-ol?
The IUPAC name of 3-[(4-fluorocyclohexyl)amino]propan-1-ol (CID 129320214) is 3-[(4-fluorocyclohexyl)amino]propan-1-ol.
What is the SMILES notation for 3-[(4-fluorocyclohexyl)amino]propan-1-ol?
The canonical SMILES for 3-[(4-fluorocyclohexyl)amino]propan-1-ol is OCCCNC1CCC(F)CC1.
What is the InChIKey of 3-[(4-fluorocyclohexyl)amino]propan-1-ol?
The InChIKey is QRXCOVRJGVTMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c10-8-2-4-9(5-3-8)11-6-1-7-12/h8-9,11-12H,1-7H2.
What are the key properties of 3-[(4-fluorocyclohexyl)amino]propan-1-ol?
3-[(4-fluorocyclohexyl)amino]propan-1-ol has a molecular weight of 175.25 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorocyclohexyl)amino]propan-1-ol is sourced from PubChem (CID 129320214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).