1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclopropan-1-amine

C13H18FNO — CID 84789141

IUPAC1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclopropan-1-amine
SMILESCOc1cc(C2(N)CC2)cc(F)c1C(C)C
InChIInChI=1S/C13H18FNO/c1-8(2)12-10(14)6-9(7-11(12)16-3)13(15)4-5-13/h6-8H,4-5,15H2,1-3H3
InChIKeyPOLXDIYDDGPJNS-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.91
Rot. Bonds3

About 1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclopropan-1-amine

1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclopropan-1-amine (PubChem CID 84789141) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclopropan-1-amine
PubChem CID84789141
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclopropan-1-amine
SMILESCOc1cc(C2(N)CC2)cc(F)c1C(C)C
InChIInChI=1S/C13H18FNO/c1-8(2)12-10(14)6-9(7-11(12)16-3)13(15)4-5-13/h6-8H,4-5,15H2,1-3H3
InChIKeyPOLXDIYDDGPJNS-UHFFFAOYSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclopropan-1-amine 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

1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclobutan-1-amine
CID 117347276
1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
CID 84784320
1-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine
CID 117347282
1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117474947
1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine
CID 84799752
1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutan-1-amine
CID 117320267
1-(3,5-difluoro-4-methylphenyl)cyclopropan-1-amine
CID 84768955
1-(4-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine
CID 117320334
1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride
CID 162691811
2-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)propan-1-amine
CID 117324048
1-(3-bromo-4,5-dimethoxyphenyl)cyclopropan-1-amine
CID 84809517
1-(4-chloro-3-methoxy-5-methylphenyl)cyclopropan-1-amine
CID 84782091

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclopropan-1-amine (CID 84789141) is 1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclopropan-1-amine is COc1cc(C2(N)CC2)cc(F)c1C(C)C.
What is the InChIKey of 1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclopropan-1-amine?
The InChIKey is POLXDIYDDGPJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-8(2)12-10(14)6-9(7-11(12)16-3)13(15)4-5-13/h6-8H,4-5,15H2,1-3H3.
What are the key properties of 1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclopropan-1-amine?
1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclopropan-1-amine has a molecular weight of 223.29 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 84789141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).