1-[(5-chloro-2,3-dimethoxyphenyl)methyl]cyclopropan-1-amine

C12H16ClNO2 — CID 117356301

IUPAC1-[(5-chloro-2,3-dimethoxyphenyl)methyl]cyclopropan-1-amine
SMILESCOc1cc(Cl)cc(CC2(N)CC2)c1OC
InChIInChI=1S/C12H16ClNO2/c1-15-10-6-9(13)5-8(11(10)16-2)7-12(14)3-4-12/h5-6H,3-4,7,14H2,1-2H3
InChIKeyKPGZZFPYTYLTMA-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.39
Rot. Bonds4

About 1-[(5-chloro-2,3-dimethoxyphenyl)methyl]cyclopropan-1-amine

1-[(5-chloro-2,3-dimethoxyphenyl)methyl]cyclopropan-1-amine (PubChem CID 117356301) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 1-[(5-chloro-2,3-dimethoxyphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(5-chloro-2,3-dimethoxyphenyl)methyl]cyclopropan-1-amine
PubChem CID117356301
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name1-[(5-chloro-2,3-dimethoxyphenyl)methyl]cyclopropan-1-amine
SMILESCOc1cc(Cl)cc(CC2(N)CC2)c1OC
InChIInChI=1S/C12H16ClNO2/c1-15-10-6-9(13)5-8(11(10)16-2)7-12(14)3-4-12/h5-6H,3-4,7,14H2,1-2H3
InChIKeyKPGZZFPYTYLTMA-UHFFFAOYSA-N
XLogP2.39
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,3-dimethoxy-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine
CID 117376984
1-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine
CID 117381745
1-[(2-chloro-3,4-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 66783478
3-[(1-aminocyclopropyl)methyl]-2-chloro-4,5-dimethoxyphenol
CID 117397604
1-[(3,4,5-trifluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117333685
N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(methoxymethyl)-N-methylcyclopropan-1-amine
CID 77092875
1-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117331427
1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropan-1-amine
CID 105423331
1-[(4-ethyl-2,5-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117343094
1-[2-(4-chloro-2-methoxyphenyl)ethyl]cyclopropan-1-amine
CID 105483503
1-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]cyclopropan-1-amine
CID 117364434
1-[(3-chloro-2-methoxy-4-methylphenyl)methyl]cyclopropan-1-amine
CID 117324499

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2,3-dimethoxyphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(5-chloro-2,3-dimethoxyphenyl)methyl]cyclopropan-1-amine (CID 117356301) is 1-[(5-chloro-2,3-dimethoxyphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(5-chloro-2,3-dimethoxyphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(5-chloro-2,3-dimethoxyphenyl)methyl]cyclopropan-1-amine is COc1cc(Cl)cc(CC2(N)CC2)c1OC.
What is the InChIKey of 1-[(5-chloro-2,3-dimethoxyphenyl)methyl]cyclopropan-1-amine?
The InChIKey is KPGZZFPYTYLTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-15-10-6-9(13)5-8(11(10)16-2)7-12(14)3-4-12/h5-6H,3-4,7,14H2,1-2H3.
What are the key properties of 1-[(5-chloro-2,3-dimethoxyphenyl)methyl]cyclopropan-1-amine?
1-[(5-chloro-2,3-dimethoxyphenyl)methyl]cyclopropan-1-amine has a molecular weight of 241.72 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2,3-dimethoxyphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117356301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).