1-(2-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine

C10H11ClFNO — CID 84784359

IUPAC1-(2-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
SMILESCOc1cc(F)c(Cl)c(C2(N)CC2)c1
InChIInChI=1S/C10H11ClFNO/c1-14-6-4-7(10(13)2-3-10)9(11)8(12)5-6/h4-5H,2-3,13H2,1H3
InChIKeyCXWWAJBVFJJKEV-UHFFFAOYSA-N
MW215.66 g/mol
LogP2.44
Rot. Bonds2

About 1-(2-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine

1-(2-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine (PubChem CID 84784359) has the molecular formula C10H11ClFNO and a molecular weight of 215.66 g/mol. Its IUPAC name is 1-(2-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
PubChem CID84784359
Molecular FormulaC10H11ClFNO
Molecular Weight215.66 g/mol
Exact Mass215.05
IUPAC Name1-(2-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
SMILESCOc1cc(F)c(Cl)c(C2(N)CC2)c1
InChIInChI=1S/C10H11ClFNO/c1-14-6-4-7(10(13)2-3-10)9(11)8(12)5-6/h4-5H,2-3,13H2,1H3
InChIKeyCXWWAJBVFJJKEV-UHFFFAOYSA-N
XLogP2.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Methoxyphenyl)cyclopropan-1-amine
CID 11008251
1-(2-Chlorophenyl)-1-(3-methoxyphenyl)methanamine
CID 54595129
2-(3-Methoxyphenyl)-2-propanamine
CID 13911310
1-(3-Methoxyphenyl)cyclopropan-1-amine hydrochloride
CID 45789921
2-(3-Methoxyphenyl)propan-2-amine hydrochloride
CID 53256959
2-(4-Fluoro-3-methoxyphenyl)propan-2-amine
CID 82601716
1-(3-(Difluoromethoxy)phenyl)cyclopropan-1-amine hydrochloride
CID 117071697
2-(4-Fluoro-3-methoxyphenyl)propan-2-amine hydrochloride
CID 155896653
2-(2-Chloro-6-fluoro-4-methoxyphenyl)propan-2-amine
CID 84785860
cis-(1S,2S)-2-(6-chloro-3-ethoxy-2-fluorophenyl)cyclopropan-1-amine
CID 134861558
6-Chloro-2-fluoro-3-methoxybenzylamine
CID 20112031
cis-(1R,2R)-2-(6-chloro-3-ethoxy-2-fluorophenyl)cyclopropan-1-amine
CID 54070630

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(2-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine (CID 84784359) is 1-(2-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(2-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(2-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine is COc1cc(F)c(Cl)c(C2(N)CC2)c1.
What is the InChIKey of 1-(2-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine?
The InChIKey is CXWWAJBVFJJKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO/c1-14-6-4-7(10(13)2-3-10)9(11)8(12)5-6/h4-5H,2-3,13H2,1H3.
What are the key properties of 1-(2-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine?
1-(2-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine has a molecular weight of 215.66 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine is sourced from PubChem (CID 84784359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).