[1-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]cyclopropyl]methanamine

C12H15ClFNO — CID 117361412

IUPAC[1-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]cyclopropyl]methanamine
SMILESCOCc1cc(Cl)c(F)c(C2(CN)CC2)c1
InChIInChI=1S/C12H15ClFNO/c1-16-6-8-4-9(11(14)10(13)5-8)12(7-15)2-3-12/h4-5H,2-3,6-7,15H2,1H3
InChIKeyAUQBGQQXCMARDU-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.62
Rot. Bonds4

About [1-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]cyclopropyl]methanamine

[1-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]cyclopropyl]methanamine (PubChem CID 117361412) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is [1-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]cyclopropyl]methanamine
PubChem CID117361412
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name[1-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]cyclopropyl]methanamine
SMILESCOCc1cc(Cl)c(F)c(C2(CN)CC2)c1
InChIInChI=1S/C12H15ClFNO/c1-16-6-8-4-9(11(14)10(13)5-8)12(7-15)2-3-12/h4-5H,2-3,6-7,15H2,1H3
InChIKeyAUQBGQQXCMARDU-UHFFFAOYSA-N
XLogP2.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-chloro-2-fluoro-5-methoxyphenyl)cyclopropyl]methanamine
CID 117331514
[1-(5-chloro-2,4-difluoro-3-methoxyphenyl)cyclopropyl]methanamine
CID 117372344
[1-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117468012
2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethanamine
CID 117310384
[1-(5-chloro-3,4-difluoro-2-methoxyphenyl)cyclopentyl]methanamine
CID 117441379
[1-(5-chloro-3-fluoro-2,4-dimethylphenyl)cyclopropyl]methanamine
CID 84791909
4-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]butan-1-amine
CID 117366823
[1-(2-chloro-4,5-difluorophenyl)cyclopropyl]methanamine
CID 117310225
[1-(2,5-difluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117355086
[1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclopropyl]methanamine
CID 117331513
O-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117339599
[1-(2-fluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117422005

Frequently Asked Questions

What is the IUPAC name of [1-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]cyclopropyl]methanamine?
The IUPAC name of [1-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]cyclopropyl]methanamine (CID 117361412) is [1-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]cyclopropyl]methanamine is COCc1cc(Cl)c(F)c(C2(CN)CC2)c1.
What is the InChIKey of [1-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]cyclopropyl]methanamine?
The InChIKey is AUQBGQQXCMARDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-16-6-8-4-9(11(14)10(13)5-8)12(7-15)2-3-12/h4-5H,2-3,6-7,15H2,1H3.
What are the key properties of [1-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]cyclopropyl]methanamine?
[1-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]cyclopropyl]methanamine has a molecular weight of 243.71 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]cyclopropyl]methanamine is sourced from PubChem (CID 117361412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).