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

C14H23FN2O — CID 104554627

IUPAC2-[[3-(3-fluorophenyl)-3-(methylamino)propyl]-methylamino]propan-1-ol
SMILESCNC(CCN(C)C(C)CO)c1cccc(F)c1
InChIInChI=1S/C14H23FN2O/c1-11(10-18)17(3)8-7-14(16-2)12-5-4-6-13(15)9-12/h4-6,9,11,14,16,18H,7-8,10H2,1-3H3
InChIKeyDOKXTHIYRPSKKB-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.79
Rot. Bonds7

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

2-[[3-(3-fluorophenyl)-3-(methylamino)propyl]-methylamino]propan-1-ol (PubChem CID 104554627) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[[3-(3-fluorophenyl)-3-(methylamino)propyl]-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[3-(3-fluorophenyl)-3-(methylamino)propyl]-methylamino]propan-1-ol
PubChem CID104554627
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name2-[[3-(3-fluorophenyl)-3-(methylamino)propyl]-methylamino]propan-1-ol
SMILESCNC(CCN(C)C(C)CO)c1cccc(F)c1
InChIInChI=1S/C14H23FN2O/c1-11(10-18)17(3)8-7-14(16-2)12-5-4-6-13(15)9-12/h4-6,9,11,14,16,18H,7-8,10H2,1-3H3
InChIKeyDOKXTHIYRPSKKB-UHFFFAOYSA-N
XLogP1.79
TPSA35.50 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 ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 62644803
N',N'-dibutyl-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine
CID 63482175
1-(3-fluorophenyl)-N-methyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine
CID 63493726
1-(3-chlorophenyl)-N,N'-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 62624169
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
1-(3-chlorophenyl)-N,N'-dimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 112664918
1-(3-fluorophenyl)-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 62643009
1-(3-chlorophenyl)-N'-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 63494088
1-(3-fluorophenyl)-N-methylheptan-1-amine
CID 62607373
2-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]ethanol
CID 55099062
5-(3-fluorophenyl)-5-(methylamino)pentan-2-one
CID 116956231
1-(3-fluorophenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82744103

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-fluorophenyl)-3-(methylamino)propyl]-methylamino]propan-1-ol?
The IUPAC name of 2-[[3-(3-fluorophenyl)-3-(methylamino)propyl]-methylamino]propan-1-ol (CID 104554627) is 2-[[3-(3-fluorophenyl)-3-(methylamino)propyl]-methylamino]propan-1-ol.
What is the SMILES notation for 2-[[3-(3-fluorophenyl)-3-(methylamino)propyl]-methylamino]propan-1-ol?
The canonical SMILES for 2-[[3-(3-fluorophenyl)-3-(methylamino)propyl]-methylamino]propan-1-ol is CNC(CCN(C)C(C)CO)c1cccc(F)c1.
What is the InChIKey of 2-[[3-(3-fluorophenyl)-3-(methylamino)propyl]-methylamino]propan-1-ol?
The InChIKey is DOKXTHIYRPSKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-11(10-18)17(3)8-7-14(16-2)12-5-4-6-13(15)9-12/h4-6,9,11,14,16,18H,7-8,10H2,1-3H3.
What are the key properties of 2-[[3-(3-fluorophenyl)-3-(methylamino)propyl]-methylamino]propan-1-ol?
2-[[3-(3-fluorophenyl)-3-(methylamino)propyl]-methylamino]propan-1-ol has a molecular weight of 254.35 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-fluorophenyl)-3-(methylamino)propyl]-methylamino]propan-1-ol is sourced from PubChem (CID 104554627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).