4-amino-1-cyclopropyl-3-(3-fluorophenyl)butan-2-ol

C13H18FNO — CID 65190596

IUPAC4-amino-1-cyclopropyl-3-(3-fluorophenyl)butan-2-ol
SMILESNCC(c1cccc(F)c1)C(O)CC1CC1
InChIInChI=1S/C13H18FNO/c14-11-3-1-2-10(7-11)12(8-15)13(16)6-9-4-5-9/h1-3,7,9,12-13,16H,4-6,8,15H2
InChIKeyFAUBGOBOFROIRI-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.03
Rot. Bonds5

About 4-amino-1-cyclopropyl-3-(3-fluorophenyl)butan-2-ol

4-amino-1-cyclopropyl-3-(3-fluorophenyl)butan-2-ol (PubChem CID 65190596) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-3-(3-fluorophenyl)butan-2-ol.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-3-(3-fluorophenyl)butan-2-ol
PubChem CID65190596
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name4-amino-1-cyclopropyl-3-(3-fluorophenyl)butan-2-ol
SMILESNCC(c1cccc(F)c1)C(O)CC1CC1
InChIInChI=1S/C13H18FNO/c14-11-3-1-2-10(7-11)12(8-15)13(16)6-9-4-5-9/h1-3,7,9,12-13,16H,4-6,8,15H2
InChIKeyFAUBGOBOFROIRI-UHFFFAOYSA-N
XLogP2.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-2-(3-fluorophenyl)hexan-3-ol
CID 65190033
1-amino-2-(3-fluorophenyl)-4,5-dimethylhexan-3-ol
CID 65190542
1-amino-2-(3-fluorophenyl)-5-methylheptan-3-ol
CID 114877285
4-amino-1-cycloheptyl-3-(3,4-dimethylphenyl)butan-2-ol
CID 114459281
4-amino-1-(3-ethoxycyclobutyl)-3-(3-methylphenyl)butan-2-ol
CID 103167221
3-amino-1-(2,4-dichlorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 65190026
4-amino-3-(3-bromophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol
CID 103167216
4-amino-1-cyclopropyl-3-[4-(2-methylpropoxy)phenyl]butan-2-ol
CID 65189752
3-amino-2-(3-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol
CID 65190027
3-amino-1-(2,5-dimethylphenyl)-2-(3-fluorophenyl)propan-1-ol
CID 65190697
(4-butylcyclohexyl)-(3-fluorophenyl)methanol
CID 114978561
3-amino-2-(3-bromophenyl)-1-cyclopropylpropan-1-ol
CID 65187659

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-3-(3-fluorophenyl)butan-2-ol?
The IUPAC name of 4-amino-1-cyclopropyl-3-(3-fluorophenyl)butan-2-ol (CID 65190596) is 4-amino-1-cyclopropyl-3-(3-fluorophenyl)butan-2-ol.
What is the SMILES notation for 4-amino-1-cyclopropyl-3-(3-fluorophenyl)butan-2-ol?
The canonical SMILES for 4-amino-1-cyclopropyl-3-(3-fluorophenyl)butan-2-ol is NCC(c1cccc(F)c1)C(O)CC1CC1.
What is the InChIKey of 4-amino-1-cyclopropyl-3-(3-fluorophenyl)butan-2-ol?
The InChIKey is FAUBGOBOFROIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c14-11-3-1-2-10(7-11)12(8-15)13(16)6-9-4-5-9/h1-3,7,9,12-13,16H,4-6,8,15H2.
What are the key properties of 4-amino-1-cyclopropyl-3-(3-fluorophenyl)butan-2-ol?
4-amino-1-cyclopropyl-3-(3-fluorophenyl)butan-2-ol has a molecular weight of 223.29 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-3-(3-fluorophenyl)butan-2-ol is sourced from PubChem (CID 65190596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).