1-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropan-1-amine

C13H16FNO — CID 84787922

IUPAC1-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropan-1-amine
SMILESNC1(c2cc(F)ccc2OCC2CC2)CC1
InChIInChI=1S/C13H16FNO/c14-10-3-4-12(16-8-9-1-2-9)11(7-10)13(15)5-6-13/h3-4,7,9H,1-2,5-6,8,15H2
InChIKeySQSUWEZDBQJSJS-UHFFFAOYSA-N
MW221.27 g/mol
LogP2.56
Rot. Bonds4

About 1-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropan-1-amine

1-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropan-1-amine (PubChem CID 84787922) has the molecular formula C13H16FNO and a molecular weight of 221.27 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropan-1-amine
PubChem CID84787922
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC Name1-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropan-1-amine
SMILESNC1(c2cc(F)ccc2OCC2CC2)CC1
InChIInChI=1S/C13H16FNO/c14-10-3-4-12(16-8-9-1-2-9)11(7-10)13(15)5-6-13/h3-4,7,9H,1-2,5-6,8,15H2
InChIKeySQSUWEZDBQJSJS-UHFFFAOYSA-N
XLogP2.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(cyclopropylmethoxy)-5-fluorophenyl]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-[2-(cyclobutylmethoxy)-5-fluorophenyl]cyclohexyl]methanamine
CID 117470930
1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine
CID 66688931
1-(5-fluoro-2-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine
CID 82768870
1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropan-1-amine
CID 134541422
1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclohexan-1-amine
CID 117436613
7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171957442
2-(cyclopropylmethoxy)-4-fluoro-1-methylbenzene;propane
CID 162532018
2-(cyclopropylmethoxy)-4-fluorobenzamide
CID 70194943
3-ethyl-1-(5-fluoro-2-methoxyphenyl)cyclopentan-1-amine
CID 82769169
1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]cyclohexan-1-amine
CID 117479484
(E)-3-[2-(cyclopropylmethoxy)-5-fluorophenyl]prop-2-en-1-amine
CID 117315957
1-[4-(cyclobutylmethoxy)-3-fluorophenyl]cyclopentan-1-amine
CID 117413278

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropan-1-amine (CID 84787922) is 1-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropan-1-amine is NC1(c2cc(F)ccc2OCC2CC2)CC1.
What is the InChIKey of 1-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropan-1-amine?
The InChIKey is SQSUWEZDBQJSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c14-10-3-4-12(16-8-9-1-2-9)11(7-10)13(15)5-6-13/h3-4,7,9H,1-2,5-6,8,15H2.
What are the key properties of 1-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropan-1-amine?
1-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropan-1-amine has a molecular weight of 221.27 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropan-1-amine is sourced from PubChem (CID 84787922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).