4-[[5-fluoro-2-[methyl(pentyl)amino]phenyl]methylamino]cyclohexan-1-ol

C19H31FN2O — CID 75534212

IUPAC4-[[5-fluoro-2-[methyl(pentyl)amino]phenyl]methylamino]cyclohexan-1-ol
SMILESCCCCCN(C)c1ccc(F)cc1CNC1CCC(O)CC1
InChIInChI=1S/C19H31FN2O/c1-3-4-5-12-22(2)19-11-6-16(20)13-15(19)14-21-17-7-9-18(23)10-8-17/h6,11,13,17-18,21,23H,3-5,7-10,12,14H2,1-2H3
InChIKeyCKGSKWFJDUGRCD-UHFFFAOYSA-N
MW322.47 g/mol
LogP3.85
Rot. Bonds8

About 4-[[5-fluoro-2-[methyl(pentyl)amino]phenyl]methylamino]cyclohexan-1-ol

4-[[5-fluoro-2-[methyl(pentyl)amino]phenyl]methylamino]cyclohexan-1-ol (PubChem CID 75534212) has the molecular formula C19H31FN2O and a molecular weight of 322.47 g/mol. Its IUPAC name is 4-[[5-fluoro-2-[methyl(pentyl)amino]phenyl]methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[5-fluoro-2-[methyl(pentyl)amino]phenyl]methylamino]cyclohexan-1-ol
PubChem CID75534212
Molecular FormulaC19H31FN2O
Molecular Weight322.47 g/mol
Exact Mass322.24
IUPAC Name4-[[5-fluoro-2-[methyl(pentyl)amino]phenyl]methylamino]cyclohexan-1-ol
SMILESCCCCCN(C)c1ccc(F)cc1CNC1CCC(O)CC1
InChIInChI=1S/C19H31FN2O/c1-3-4-5-12-22(2)19-11-6-16(20)13-15(19)14-21-17-7-9-18(23)10-8-17/h6,11,13,17-18,21,23H,3-5,7-10,12,14H2,1-2H3
InChIKeyCKGSKWFJDUGRCD-UHFFFAOYSA-N
XLogP3.85
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-fluoro-2-[methyl(pentyl)amino]phenyl]methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[[5-fluoro-2-[methyl(pentyl)amino]phenyl]methylamino]cyclohexan-1-ol (CID 75534212) is 4-[[5-fluoro-2-[methyl(pentyl)amino]phenyl]methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[5-fluoro-2-[methyl(pentyl)amino]phenyl]methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[[5-fluoro-2-[methyl(pentyl)amino]phenyl]methylamino]cyclohexan-1-ol is CCCCCN(C)c1ccc(F)cc1CNC1CCC(O)CC1.
What is the InChIKey of 4-[[5-fluoro-2-[methyl(pentyl)amino]phenyl]methylamino]cyclohexan-1-ol?
The InChIKey is CKGSKWFJDUGRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31FN2O/c1-3-4-5-12-22(2)19-11-6-16(20)13-15(19)14-21-17-7-9-18(23)10-8-17/h6,11,13,17-18,21,23H,3-5,7-10,12,14H2,1-2H3.
What are the key properties of 4-[[5-fluoro-2-[methyl(pentyl)amino]phenyl]methylamino]cyclohexan-1-ol?
4-[[5-fluoro-2-[methyl(pentyl)amino]phenyl]methylamino]cyclohexan-1-ol has a molecular weight of 322.47 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-fluoro-2-[methyl(pentyl)amino]phenyl]methylamino]cyclohexan-1-ol is sourced from PubChem (CID 75534212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).