2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-methylamino]propan-1-ol

C14H23FN2O — CID 113426383

IUPAC2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-methylamino]propan-1-ol
SMILESCc1ccc(C(N)CCN(C)C(C)CO)cc1F
InChIInChI=1S/C14H23FN2O/c1-10-4-5-12(8-13(10)15)14(16)6-7-17(3)11(2)9-18/h4-5,8,11,14,18H,6-7,9,16H2,1-3H3
InChIKeyJJDNMPVYZMEDOL-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.84
Rot. Bonds6

About 2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-methylamino]propan-1-ol

2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-methylamino]propan-1-ol (PubChem CID 113426383) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-methylamino]propan-1-ol
PubChem CID113426383
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-methylamino]propan-1-ol
SMILESCc1ccc(C(N)CCN(C)C(C)CO)cc1F
InChIInChI=1S/C14H23FN2O/c1-10-4-5-12(8-13(10)15)14(16)6-7-17(3)11(2)9-18/h4-5,8,11,14,18H,6-7,9,16H2,1-3H3
InChIKeyJJDNMPVYZMEDOL-UHFFFAOYSA-N
XLogP1.84
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-methylamino]propan-1-ol
CID 104554566
1-(3-fluoro-4-methylphenyl)-3-propan-2-yloxypropan-1-amine
CID 115002277
2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-cyclobutylamino]ethanol
CID 102871056
(1S)-1-(3-fluoro-4-methylphenyl)pentane-1,5-diamine
CID 171223924
4-ethoxy-1-(3-fluoro-4-methylphenyl)butan-1-amine
CID 107130391
1-(3-fluoro-4-methylphenyl)hex-4-yn-1-amine
CID 104804543
(1R)-1-(3-fluoro-4-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171204371
ethyl 3-amino-3-(3-fluoro-4-methylphenyl)propanoate
CID 63644834
1-(3,4-difluorophenyl)-N',N'-diethylpropane-1,3-diamine
CID 79086921
3-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-ol
CID 104554768
3-amino-3-(3-fluoro-4-methylphenyl)propanoic acid
CID 18526009
2-ethylsulfanyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 107128759

Frequently Asked Questions

What is the IUPAC name of 2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-methylamino]propan-1-ol?
The IUPAC name of 2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-methylamino]propan-1-ol (CID 113426383) is 2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-methylamino]propan-1-ol.
What is the SMILES notation for 2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-methylamino]propan-1-ol?
The canonical SMILES for 2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-methylamino]propan-1-ol is Cc1ccc(C(N)CCN(C)C(C)CO)cc1F.
What is the InChIKey of 2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-methylamino]propan-1-ol?
The InChIKey is JJDNMPVYZMEDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-10-4-5-12(8-13(10)15)14(16)6-7-17(3)11(2)9-18/h4-5,8,11,14,18H,6-7,9,16H2,1-3H3.
What are the key properties of 2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-methylamino]propan-1-ol?
2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-methylamino]propan-1-ol has a molecular weight of 254.35 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-methylamino]propan-1-ol is sourced from PubChem (CID 113426383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).