5-[[3-amino-3-(4-fluorophenyl)propyl]-methylamino]pentan-1-ol

C15H25FN2O — CID 107204561

IUPAC5-[[3-amino-3-(4-fluorophenyl)propyl]-methylamino]pentan-1-ol
SMILESCN(CCCCCO)CCC(N)c1ccc(F)cc1
InChIInChI=1S/C15H25FN2O/c1-18(10-3-2-4-12-19)11-9-15(17)13-5-7-14(16)8-6-13/h5-8,15,19H,2-4,9-12,17H2,1H3
InChIKeyODPFVBLZLWPXQL-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.31
Rot. Bonds9

About 5-[[3-amino-3-(4-fluorophenyl)propyl]-methylamino]pentan-1-ol

5-[[3-amino-3-(4-fluorophenyl)propyl]-methylamino]pentan-1-ol (PubChem CID 107204561) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is 5-[[3-amino-3-(4-fluorophenyl)propyl]-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[[3-amino-3-(4-fluorophenyl)propyl]-methylamino]pentan-1-ol
PubChem CID107204561
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC Name5-[[3-amino-3-(4-fluorophenyl)propyl]-methylamino]pentan-1-ol
SMILESCN(CCCCCO)CCC(N)c1ccc(F)cc1
InChIInChI=1S/C15H25FN2O/c1-18(10-3-2-4-12-19)11-9-15(17)13-5-7-14(16)8-6-13/h5-8,15,19H,2-4,9-12,17H2,1H3
InChIKeyODPFVBLZLWPXQL-UHFFFAOYSA-N
XLogP2.31
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.31
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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Related Compounds

N',1-bis(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62645224
N'-[(4-fluorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine
CID 61413647
1-(4-fluorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine
CID 62644481
5-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]pentan-1-ol
CID 107204696
5-amino-5-[4-(dimethylamino)phenyl]pentan-1-ol
CID 82367205
N'-ethyl-1-(4-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62643077
1-(4-fluorophenyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine
CID 63236752
8-[6-hydroxyhexyl(methyl)amino]octan-1-ol
CID 19982345
1-(4-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 62644970
N'-(3,5-dimethylphenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62645408
2-amino-2-(4-fluorophenyl)ethanol
CID 14853201
1-(4-fluorophenyl)pentan-1-amine;hydrochloride
CID 86262916

Frequently Asked Questions

What is the IUPAC name of 5-[[3-amino-3-(4-fluorophenyl)propyl]-methylamino]pentan-1-ol?
The IUPAC name of 5-[[3-amino-3-(4-fluorophenyl)propyl]-methylamino]pentan-1-ol (CID 107204561) is 5-[[3-amino-3-(4-fluorophenyl)propyl]-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[[3-amino-3-(4-fluorophenyl)propyl]-methylamino]pentan-1-ol?
The canonical SMILES for 5-[[3-amino-3-(4-fluorophenyl)propyl]-methylamino]pentan-1-ol is CN(CCCCCO)CCC(N)c1ccc(F)cc1.
What is the InChIKey of 5-[[3-amino-3-(4-fluorophenyl)propyl]-methylamino]pentan-1-ol?
The InChIKey is ODPFVBLZLWPXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-18(10-3-2-4-12-19)11-9-15(17)13-5-7-14(16)8-6-13/h5-8,15,19H,2-4,9-12,17H2,1H3.
What are the key properties of 5-[[3-amino-3-(4-fluorophenyl)propyl]-methylamino]pentan-1-ol?
5-[[3-amino-3-(4-fluorophenyl)propyl]-methylamino]pentan-1-ol has a molecular weight of 268.38 g/mol, XLogP of 2.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-amino-3-(4-fluorophenyl)propyl]-methylamino]pentan-1-ol is sourced from PubChem (CID 107204561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).