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

C16H25FN2O — CID 102870739

IUPAC3-[[3-amino-3-(2-fluorophenyl)propyl]-cyclobutylamino]propan-1-ol
SMILESNC(CCN(CCCO)C1CCC1)c1ccccc1F
InChIInChI=1S/C16H25FN2O/c17-15-8-2-1-7-14(15)16(18)9-11-19(10-4-12-20)13-5-3-6-13/h1-2,7-8,13,16,20H,3-6,9-12,18H2
InChIKeyASGOQRGJYGAUKU-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.45
Rot. Bonds8

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

3-[[3-amino-3-(2-fluorophenyl)propyl]-cyclobutylamino]propan-1-ol (PubChem CID 102870739) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-[[3-amino-3-(2-fluorophenyl)propyl]-cyclobutylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[3-amino-3-(2-fluorophenyl)propyl]-cyclobutylamino]propan-1-ol
PubChem CID102870739
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name3-[[3-amino-3-(2-fluorophenyl)propyl]-cyclobutylamino]propan-1-ol
SMILESNC(CCN(CCCO)C1CCC1)c1ccccc1F
InChIInChI=1S/C16H25FN2O/c17-15-8-2-1-7-14(15)16(18)9-11-19(10-4-12-20)13-5-3-6-13/h1-2,7-8,13,16,20H,3-6,9-12,18H2
InChIKeyASGOQRGJYGAUKU-UHFFFAOYSA-N
XLogP2.45
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-butyl-N'-cyclopropyl-1-(2-fluorophenyl)propane-1,3-diamine
CID 62645216
3-[cyclobutyl(3-hydroxypropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 102871115
1-(2-fluorophenyl)-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 62643010
2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-cyclobutylamino]ethanol
CID 102871056
N'-cyclohexyl-1-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 16786425
1-(2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 62644975
3-[cyclopropyl(propyl)amino]-1-(2-fluorophenyl)propan-1-ol
CID 55099405
4-amino-4-(2,3-difluorophenyl)butan-1-ol
CID 170171841
N'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 63699831
1-(2-fluorophenyl)-N'-methyl-N'-pentylpropane-1,3-diamine
CID 62645170
N'-cyclopropyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine
CID 55098071
4-[cyclobutyl(3-hydroxypropyl)amino]butan-1-ol
CID 102848477

Frequently Asked Questions

What is the IUPAC name of 3-[[3-amino-3-(2-fluorophenyl)propyl]-cyclobutylamino]propan-1-ol?
The IUPAC name of 3-[[3-amino-3-(2-fluorophenyl)propyl]-cyclobutylamino]propan-1-ol (CID 102870739) is 3-[[3-amino-3-(2-fluorophenyl)propyl]-cyclobutylamino]propan-1-ol.
What is the SMILES notation for 3-[[3-amino-3-(2-fluorophenyl)propyl]-cyclobutylamino]propan-1-ol?
The canonical SMILES for 3-[[3-amino-3-(2-fluorophenyl)propyl]-cyclobutylamino]propan-1-ol is NC(CCN(CCCO)C1CCC1)c1ccccc1F.
What is the InChIKey of 3-[[3-amino-3-(2-fluorophenyl)propyl]-cyclobutylamino]propan-1-ol?
The InChIKey is ASGOQRGJYGAUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c17-15-8-2-1-7-14(15)16(18)9-11-19(10-4-12-20)13-5-3-6-13/h1-2,7-8,13,16,20H,3-6,9-12,18H2.
What are the key properties of 3-[[3-amino-3-(2-fluorophenyl)propyl]-cyclobutylamino]propan-1-ol?
3-[[3-amino-3-(2-fluorophenyl)propyl]-cyclobutylamino]propan-1-ol has a molecular weight of 280.39 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-amino-3-(2-fluorophenyl)propyl]-cyclobutylamino]propan-1-ol is sourced from PubChem (CID 102870739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).