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

C14H23FN2O — CID 62645074

IUPAC1-[[3-(2-fluorophenyl)-3-(methylamino)propyl]-methylamino]propan-2-ol
SMILESCNC(CCN(C)CC(C)O)c1ccccc1F
InChIInChI=1S/C14H23FN2O/c1-11(18)10-17(3)9-8-14(16-2)12-6-4-5-7-13(12)15/h4-7,11,14,16,18H,8-10H2,1-3H3
InChIKeyVBUXFLSZRDRGMZ-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.79
Rot. Bonds7

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

1-[[3-(2-fluorophenyl)-3-(methylamino)propyl]-methylamino]propan-2-ol (PubChem CID 62645074) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-[[3-(2-fluorophenyl)-3-(methylamino)propyl]-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[3-(2-fluorophenyl)-3-(methylamino)propyl]-methylamino]propan-2-ol
PubChem CID62645074
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name1-[[3-(2-fluorophenyl)-3-(methylamino)propyl]-methylamino]propan-2-ol
SMILESCNC(CCN(C)CC(C)O)c1ccccc1F
InChIInChI=1S/C14H23FN2O/c1-11(18)10-17(3)9-8-14(16-2)12-6-4-5-7-13(12)15/h4-7,11,14,16,18H,8-10H2,1-3H3
InChIKeyVBUXFLSZRDRGMZ-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-(2-fluorophenyl)-3-[2-hydroxypropyl(methyl)amino]propan-1-ol
CID 62630697
N'-butan-2-yl-1-(2-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 62644105
1-(2-fluorophenyl)-N,N'-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62645349
N'-cyclopropyl-N'-ethyl-1-(2-fluorophenyl)-N-methylpropane-1,3-diamine
CID 55099247
N'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 62644533
1-(2-fluorophenyl)-N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63025147
1-[[3-(ethylamino)-3-(2-methylphenyl)propyl]-methylamino]propan-2-ol
CID 62623092
1-(2-fluorophenyl)-N-methylpentan-1-amine
CID 63083903
1-(2-fluorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 114058268
1-(2-fluorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine
CID 62644284
N'-ethyl-1-(2-fluorophenyl)-N,N',2-trimethylpropane-1,3-diamine
CID 112679820
1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 115996979

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-fluorophenyl)-3-(methylamino)propyl]-methylamino]propan-2-ol?
The IUPAC name of 1-[[3-(2-fluorophenyl)-3-(methylamino)propyl]-methylamino]propan-2-ol (CID 62645074) is 1-[[3-(2-fluorophenyl)-3-(methylamino)propyl]-methylamino]propan-2-ol.
What is the SMILES notation for 1-[[3-(2-fluorophenyl)-3-(methylamino)propyl]-methylamino]propan-2-ol?
The canonical SMILES for 1-[[3-(2-fluorophenyl)-3-(methylamino)propyl]-methylamino]propan-2-ol is CNC(CCN(C)CC(C)O)c1ccccc1F.
What is the InChIKey of 1-[[3-(2-fluorophenyl)-3-(methylamino)propyl]-methylamino]propan-2-ol?
The InChIKey is VBUXFLSZRDRGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-11(18)10-17(3)9-8-14(16-2)12-6-4-5-7-13(12)15/h4-7,11,14,16,18H,8-10H2,1-3H3.
What are the key properties of 1-[[3-(2-fluorophenyl)-3-(methylamino)propyl]-methylamino]propan-2-ol?
1-[[3-(2-fluorophenyl)-3-(methylamino)propyl]-methylamino]propan-2-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 1-[[3-(2-fluorophenyl)-3-(methylamino)propyl]-methylamino]propan-2-ol is sourced from PubChem (CID 62645074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).