1-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine

C11H13ClFNO — CID 117331427

IUPAC1-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine
SMILESCOc1cc(F)c(CC2(N)CC2)cc1Cl
InChIInChI=1S/C11H13ClFNO/c1-15-10-5-9(13)7(4-8(10)12)6-11(14)2-3-11/h4-5H,2-3,6,14H2,1H3
InChIKeyBDEOWOXVBXHITG-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.52
Rot. Bonds3

About 1-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine

1-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine (PubChem CID 117331427) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 1-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine
PubChem CID117331427
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name1-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine
SMILESCOc1cc(F)c(CC2(N)CC2)cc1Cl
InChIInChI=1S/C11H13ClFNO/c1-15-10-5-9(13)7(4-8(10)12)6-11(14)2-3-11/h4-5H,2-3,6,14H2,1H3
InChIKeyBDEOWOXVBXHITG-UHFFFAOYSA-N
XLogP2.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 84671954
2-(5-chloro-2-fluoro-4-methoxyphenyl)acetic acid
CID 56840543
1-(5-chloro-2-fluoro-4-methoxyphenyl)propan-2-amine;hydrochloride
CID 170894016
1-[(5-chloro-2,3-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117356301
1-[(3,4,5-trifluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117333685
2-[(1-aminocyclopropyl)methyl]-3,4-difluoro-6-methoxyphenol
CID 117329978
1-[(4-ethyl-2,5-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117343094
1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropan-1-amine
CID 105423331
4-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]piperidine
CID 117398047
1-[(2-chloro-3,4-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 66783478
3-(5-chloro-2-fluoro-4-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117406133
4-[(1-aminocyclopropyl)methyl]-2,5-dimethoxybenzenethiol
CID 168930817

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine (CID 117331427) is 1-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine is COc1cc(F)c(CC2(N)CC2)cc1Cl.
What is the InChIKey of 1-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine?
The InChIKey is BDEOWOXVBXHITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-15-10-5-9(13)7(4-8(10)12)6-11(14)2-3-11/h4-5H,2-3,6,14H2,1H3.
What are the key properties of 1-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine?
1-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine has a molecular weight of 229.68 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117331427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).