3-amino-1-cyclobutyl-2-(4-fluorophenyl)propan-1-ol

C13H18FNO — CID 65185834

IUPAC3-amino-1-cyclobutyl-2-(4-fluorophenyl)propan-1-ol
SMILESNCC(c1ccc(F)cc1)C(O)C1CCC1
InChIInChI=1S/C13H18FNO/c14-11-6-4-9(5-7-11)12(8-15)13(16)10-2-1-3-10/h4-7,10,12-13,16H,1-3,8,15H2
InChIKeyGDNMTULQEMWPPN-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.03
Rot. Bonds4

About 3-amino-1-cyclobutyl-2-(4-fluorophenyl)propan-1-ol

3-amino-1-cyclobutyl-2-(4-fluorophenyl)propan-1-ol (PubChem CID 65185834) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-amino-1-cyclobutyl-2-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-cyclobutyl-2-(4-fluorophenyl)propan-1-ol
PubChem CID65185834
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name3-amino-1-cyclobutyl-2-(4-fluorophenyl)propan-1-ol
SMILESNCC(c1ccc(F)cc1)C(O)C1CCC1
InChIInChI=1S/C13H18FNO/c14-11-6-4-9(5-7-11)12(8-15)13(16)10-2-1-3-10/h4-7,10,12-13,16H,1-3,8,15H2
InChIKeyGDNMTULQEMWPPN-UHFFFAOYSA-N
XLogP2.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

3-amino-1-cyclooctyl-2-(4-methylphenyl)propan-1-ol
CID 65187996
3-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)propan-1-ol
CID 65188524
3-amino-1-cyclopentyl-2-(4-methoxyphenyl)propan-1-ol
CID 65185701
3-amino-2-(4-bromophenyl)-1-cyclopropylpropan-1-ol
CID 65186501
3-amino-1-cycloheptyl-2-(4-methoxyphenyl)propan-1-ol
CID 65185399
3-amino-1-cyclohexyl-2-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 75106370
3-amino-1-cyclopentyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol
CID 65189415
3-amino-1-cyclopropyl-2-(4-ethoxyphenyl)propan-1-ol
CID 65187865
2-[[(1S)-1-cyclopentylethyl]amino]-1-(4-fluorophenyl)ethanol
CID 81396302
3-amino-1-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propan-1-ol
CID 65189466
3-amino-2-(4-fluorophenyl)-1-(furan-3-yl)propan-1-ol
CID 65185271
trans-(1S,2R)-2-[(1R)-2-amino-1-(4-fluorophenyl)ethyl]cyclohexan-1-ol
CID 70440886

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclobutyl-2-(4-fluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-cyclobutyl-2-(4-fluorophenyl)propan-1-ol (CID 65185834) is 3-amino-1-cyclobutyl-2-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-cyclobutyl-2-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-cyclobutyl-2-(4-fluorophenyl)propan-1-ol is NCC(c1ccc(F)cc1)C(O)C1CCC1.
What is the InChIKey of 3-amino-1-cyclobutyl-2-(4-fluorophenyl)propan-1-ol?
The InChIKey is GDNMTULQEMWPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c14-11-6-4-9(5-7-11)12(8-15)13(16)10-2-1-3-10/h4-7,10,12-13,16H,1-3,8,15H2.
What are the key properties of 3-amino-1-cyclobutyl-2-(4-fluorophenyl)propan-1-ol?
3-amino-1-cyclobutyl-2-(4-fluorophenyl)propan-1-ol has a molecular weight of 223.29 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclobutyl-2-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 65185834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).