3-amino-3-cyclopropyl-2-(3-fluoro-4-methylphenoxy)propan-1-ol

C13H18FNO2 — CID 107168863

IUPAC3-amino-3-cyclopropyl-2-(3-fluoro-4-methylphenoxy)propan-1-ol
SMILESCc1ccc(OC(CO)C(N)C2CC2)cc1F
InChIInChI=1S/C13H18FNO2/c1-8-2-5-10(6-11(8)14)17-12(7-16)13(15)9-3-4-9/h2,5-6,9,12-13,16H,3-4,7,15H2,1H3
InChIKeyJPRLDGMPEURVTH-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.61
Rot. Bonds5

About 3-amino-3-cyclopropyl-2-(3-fluoro-4-methylphenoxy)propan-1-ol

3-amino-3-cyclopropyl-2-(3-fluoro-4-methylphenoxy)propan-1-ol (PubChem CID 107168863) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-2-(3-fluoro-4-methylphenoxy)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-2-(3-fluoro-4-methylphenoxy)propan-1-ol
PubChem CID107168863
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name3-amino-3-cyclopropyl-2-(3-fluoro-4-methylphenoxy)propan-1-ol
SMILESCc1ccc(OC(CO)C(N)C2CC2)cc1F
InChIInChI=1S/C13H18FNO2/c1-8-2-5-10(6-11(8)14)17-12(7-16)13(15)9-3-4-9/h2,5-6,9,12-13,16H,3-4,7,15H2,1H3
InChIKeyJPRLDGMPEURVTH-UHFFFAOYSA-N
XLogP1.61
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-3-cyclopropyl-2-(3-fluoro-4-methylphenoxy)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-3-cyclopropyl-2-(4-propoxyphenoxy)propan-1-ol
CID 114358073
3-amino-3-cyclopropyl-2-(3,4,5-trimethoxyphenoxy)propan-1-ol
CID 114358382
N-[2-(3-fluoro-4-methylphenoxy)propyl]cyclopropanamine
CID 107170738
N-(dicyclopropylmethyl)-2-(3-fluoro-4-methylphenoxy)ethanamine
CID 107170975
4-(difluoromethoxy)-2-fluoro-1-methylbenzene;ethane
CID 142506670
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
N-[2-(3-fluoro-4-methylphenoxy)-2-phenylethyl]cyclopropanamine
CID 107170780
trans-(1S,2S)-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
CID 107170041
2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
CID 107170051
2-(4-chlorophenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine
CID 107168741
1-(4-chlorophenyl)-1-(3-fluoro-4-methylphenoxy)propan-2-amine
CID 107168655
2-(3-fluoro-4-methylphenoxy)-3-methoxy-N-methylpropan-1-amine
CID 107170775

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-2-(3-fluoro-4-methylphenoxy)propan-1-ol?
The IUPAC name of 3-amino-3-cyclopropyl-2-(3-fluoro-4-methylphenoxy)propan-1-ol (CID 107168863) is 3-amino-3-cyclopropyl-2-(3-fluoro-4-methylphenoxy)propan-1-ol.
What is the SMILES notation for 3-amino-3-cyclopropyl-2-(3-fluoro-4-methylphenoxy)propan-1-ol?
The canonical SMILES for 3-amino-3-cyclopropyl-2-(3-fluoro-4-methylphenoxy)propan-1-ol is Cc1ccc(OC(CO)C(N)C2CC2)cc1F.
What is the InChIKey of 3-amino-3-cyclopropyl-2-(3-fluoro-4-methylphenoxy)propan-1-ol?
The InChIKey is JPRLDGMPEURVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-8-2-5-10(6-11(8)14)17-12(7-16)13(15)9-3-4-9/h2,5-6,9,12-13,16H,3-4,7,15H2,1H3.
What are the key properties of 3-amino-3-cyclopropyl-2-(3-fluoro-4-methylphenoxy)propan-1-ol?
3-amino-3-cyclopropyl-2-(3-fluoro-4-methylphenoxy)propan-1-ol has a molecular weight of 239.29 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-2-(3-fluoro-4-methylphenoxy)propan-1-ol is sourced from PubChem (CID 107168863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).