3-[[2-amino-1-(3-fluorophenyl)butyl]-methylamino]propan-1-ol

C14H23FN2O — CID 114230118

IUPAC3-[[2-amino-1-(3-fluorophenyl)butyl]-methylamino]propan-1-ol
SMILESCCC(N)C(c1cccc(F)c1)N(C)CCCO
InChIInChI=1S/C14H23FN2O/c1-3-13(16)14(17(2)8-5-9-18)11-6-4-7-12(15)10-11/h4,6-7,10,13-14,18H,3,5,8-9,16H2,1-2H3
InChIKeyRPBTUOWNSQEDET-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.92
Rot. Bonds7

About 3-[[2-amino-1-(3-fluorophenyl)butyl]-methylamino]propan-1-ol

3-[[2-amino-1-(3-fluorophenyl)butyl]-methylamino]propan-1-ol (PubChem CID 114230118) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 3-[[2-amino-1-(3-fluorophenyl)butyl]-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-amino-1-(3-fluorophenyl)butyl]-methylamino]propan-1-ol
PubChem CID114230118
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name3-[[2-amino-1-(3-fluorophenyl)butyl]-methylamino]propan-1-ol
SMILESCCC(N)C(c1cccc(F)c1)N(C)CCCO
InChIInChI=1S/C14H23FN2O/c1-3-13(16)14(17(2)8-5-9-18)11-6-4-7-12(15)10-11/h4,6-7,10,13-14,18H,3,5,8-9,16H2,1-2H3
InChIKeyRPBTUOWNSQEDET-UHFFFAOYSA-N
XLogP1.92
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-amino-1-(3-fluorophenyl)propyl]-propylamino]ethanol
CID 55020152
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
3-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]-N-methylpropanamide
CID 106914505
1-N-methyl-1-(3-methylphenyl)-1-N-(2-methylsulfanylethyl)butane-1,2-diamine
CID 112657487
2-[butyl(methyl)amino]-2-(3-fluorophenyl)ethanethioamide
CID 84749871
1-(3-fluorophenyl)-1-N-methyl-1-N-(2-methyloxolan-3-yl)butane-1,2-diamine
CID 82732670
1-N-butyl-1-(3-chlorophenyl)-1-N-methylpropane-1,2-diamine
CID 55019737
1-(3-chlorophenyl)-1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 63206628
(1R,2S)-1-amino-1-(3-fluorophenyl)butan-2-ol
CID 131021466
1-N-(2-ethoxyethyl)-1-(4-fluorophenyl)-1-N-methylbutane-1,2-diamine
CID 81052895
1-butylsulfanyl-1-(3-fluorophenyl)butan-2-amine
CID 55019445
2-[1-(3-fluorophenyl)propyl]-1,1-dimethylhydrazine
CID 114871774

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-1-(3-fluorophenyl)butyl]-methylamino]propan-1-ol?
The IUPAC name of 3-[[2-amino-1-(3-fluorophenyl)butyl]-methylamino]propan-1-ol (CID 114230118) is 3-[[2-amino-1-(3-fluorophenyl)butyl]-methylamino]propan-1-ol.
What is the SMILES notation for 3-[[2-amino-1-(3-fluorophenyl)butyl]-methylamino]propan-1-ol?
The canonical SMILES for 3-[[2-amino-1-(3-fluorophenyl)butyl]-methylamino]propan-1-ol is CCC(N)C(c1cccc(F)c1)N(C)CCCO.
What is the InChIKey of 3-[[2-amino-1-(3-fluorophenyl)butyl]-methylamino]propan-1-ol?
The InChIKey is RPBTUOWNSQEDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-3-13(16)14(17(2)8-5-9-18)11-6-4-7-12(15)10-11/h4,6-7,10,13-14,18H,3,5,8-9,16H2,1-2H3.
What are the key properties of 3-[[2-amino-1-(3-fluorophenyl)butyl]-methylamino]propan-1-ol?
3-[[2-amino-1-(3-fluorophenyl)butyl]-methylamino]propan-1-ol has a molecular weight of 254.35 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-1-(3-fluorophenyl)butyl]-methylamino]propan-1-ol is sourced from PubChem (CID 114230118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).