2-[[2-amino-1-(4-fluorophenyl)propyl]-methylamino]cyclohexan-1-ol

C16H25FN2O — CID 102631581

IUPAC2-[[2-amino-1-(4-fluorophenyl)propyl]-methylamino]cyclohexan-1-ol
SMILESCC(N)C(c1ccc(F)cc1)N(C)C1CCCCC1O
InChIInChI=1S/C16H25FN2O/c1-11(18)16(12-7-9-13(17)10-8-12)19(2)14-5-3-4-6-15(14)20/h7-11,14-16,20H,3-6,18H2,1-2H3
InChIKeyIPXLGOKOVWUTPF-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.45
Rot. Bonds4

About 2-[[2-amino-1-(4-fluorophenyl)propyl]-methylamino]cyclohexan-1-ol

2-[[2-amino-1-(4-fluorophenyl)propyl]-methylamino]cyclohexan-1-ol (PubChem CID 102631581) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-[[2-amino-1-(4-fluorophenyl)propyl]-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[2-amino-1-(4-fluorophenyl)propyl]-methylamino]cyclohexan-1-ol
PubChem CID102631581
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name2-[[2-amino-1-(4-fluorophenyl)propyl]-methylamino]cyclohexan-1-ol
SMILESCC(N)C(c1ccc(F)cc1)N(C)C1CCCCC1O
InChIInChI=1S/C16H25FN2O/c1-11(18)16(12-7-9-13(17)10-8-12)19(2)14-5-3-4-6-15(14)20/h7-11,14-16,20H,3-6,18H2,1-2H3
InChIKeyIPXLGOKOVWUTPF-UHFFFAOYSA-N
XLogP2.45
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-amino-1,1,1-trifluorobutan-2-yl)-methylamino]cyclohexan-1-ol
CID 102631605
2-[[2-amino-1-(4-methylphenyl)butyl]-methylamino]cyclohexan-1-ol
CID 102631590
1-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-1-N-methylpropane-1,2-diamine
CID 55016538
trans-(1R,2R)-2-[1-(2-fluorophenyl)ethyl-methylamino]cyclohexan-1-ol
CID 104954596
1-(4-fluorophenyl)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 63727122
(2S)-2-(4-fluorophenoxy)-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylpropanamide
CID 98771935
(2R)-2-(4-fluorophenoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylpropanamide
CID 124536446
2-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]cyclohexan-1-ol
CID 102631497
trans-(1S,2S)-2-[methyl(propan-2-yl)amino]cyclopentan-1-ol
CID 93346502
2-[[2-amino-1-(4-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol
CID 102631579
2-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]cyclohexan-1-ol
CID 102631632
2-[(2-amino-1-thiophen-2-ylbutyl)-methylamino]cyclohexan-1-ol
CID 102631633

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(4-fluorophenyl)propyl]-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[[2-amino-1-(4-fluorophenyl)propyl]-methylamino]cyclohexan-1-ol (CID 102631581) is 2-[[2-amino-1-(4-fluorophenyl)propyl]-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[2-amino-1-(4-fluorophenyl)propyl]-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[[2-amino-1-(4-fluorophenyl)propyl]-methylamino]cyclohexan-1-ol is CC(N)C(c1ccc(F)cc1)N(C)C1CCCCC1O.
What is the InChIKey of 2-[[2-amino-1-(4-fluorophenyl)propyl]-methylamino]cyclohexan-1-ol?
The InChIKey is IPXLGOKOVWUTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-11(18)16(12-7-9-13(17)10-8-12)19(2)14-5-3-4-6-15(14)20/h7-11,14-16,20H,3-6,18H2,1-2H3.
What are the key properties of 2-[[2-amino-1-(4-fluorophenyl)propyl]-methylamino]cyclohexan-1-ol?
2-[[2-amino-1-(4-fluorophenyl)propyl]-methylamino]cyclohexan-1-ol has a molecular weight of 280.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(4-fluorophenyl)propyl]-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102631581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).