1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropan-1-amine

C13H19NO2 — CID 105423331

IUPAC1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropan-1-amine
SMILESCOc1cc(C)c(CC2(N)CC2)cc1OC
InChIInChI=1S/C13H19NO2/c1-9-6-11(15-2)12(16-3)7-10(9)8-13(14)4-5-13/h6-7H,4-5,8,14H2,1-3H3
InChIKeyDUFNWJLJOPMFIN-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.05
Rot. Bonds4

About 1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropan-1-amine

1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropan-1-amine (PubChem CID 105423331) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropan-1-amine
PubChem CID105423331
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropan-1-amine
SMILESCOc1cc(C)c(CC2(N)CC2)cc1OC
InChIInChI=1S/C13H19NO2/c1-9-6-11(15-2)12(16-3)7-10(9)8-13(14)4-5-13/h6-7H,4-5,8,14H2,1-3H3
InChIKeyDUFNWJLJOPMFIN-UHFFFAOYSA-N
XLogP2.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-ethyl-2,5-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117343094
4-[(1-aminocyclopropyl)methyl]-2,5-dimethoxybenzenethiol
CID 168930817
1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutane-1-carboxylic acid
CID 116929511
1-[(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine
CID 117499584
1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine
CID 117293533
1-[[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine
CID 117483540
1-[2-(5-fluoro-2-methoxy-4-methylphenyl)ethyl]cyclopropan-1-amine
CID 105480784
2-[2-(1-aminocyclopropyl)ethyl]-4,5-dimethoxyphenol
CID 105499062
1-[(5-chloro-2,3-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117356301
[1-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclopropyl]methanol
CID 116928883
4-[(1-aminocyclopropyl)methyl]-3-methoxy-5-methylphenol
CID 117296210
1-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine
CID 55042036

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropan-1-amine (CID 105423331) is 1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropan-1-amine is COc1cc(C)c(CC2(N)CC2)cc1OC.
What is the InChIKey of 1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropan-1-amine?
The InChIKey is DUFNWJLJOPMFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-6-11(15-2)12(16-3)7-10(9)8-13(14)4-5-13/h6-7H,4-5,8,14H2,1-3H3.
What are the key properties of 1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropan-1-amine?
1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 105423331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).