1-[(2,3-dimethoxy-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine

C15H23NO2 — CID 117376984

IUPAC1-[(2,3-dimethoxy-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine
SMILESCOc1cc(C(C)C)cc(CC2(N)CC2)c1OC
InChIInChI=1S/C15H23NO2/c1-10(2)11-7-12(9-15(16)5-6-15)14(18-4)13(8-11)17-3/h7-8,10H,5-6,9,16H2,1-4H3
InChIKeyXBRNUMHNEMTWNO-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.86
Rot. Bonds5

About 1-[(2,3-dimethoxy-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine

1-[(2,3-dimethoxy-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine (PubChem CID 117376984) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[(2,3-dimethoxy-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(2,3-dimethoxy-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine
PubChem CID117376984
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[(2,3-dimethoxy-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine
SMILESCOc1cc(C(C)C)cc(CC2(N)CC2)c1OC
InChIInChI=1S/C15H23NO2/c1-10(2)11-7-12(9-15(16)5-6-15)14(18-4)13(8-11)17-3/h7-8,10H,5-6,9,16H2,1-4H3
InChIKeyXBRNUMHNEMTWNO-UHFFFAOYSA-N
XLogP2.86
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chloro-2,3-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117356301
1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene
CID 144562755
1-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine
CID 117381745
ethane;1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene
CID 144562754
1-(2,3-dimethoxy-5-propan-2-ylphenyl)cyclopropan-1-amine
CID 117342983
1-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]cyclopropan-1-amine
CID 117364434
1-[(3,4,5-trifluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117333685
1-[(2-methyl-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine
CID 117292095
1-[(4-ethyl-2,5-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117343094
1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropan-1-amine
CID 105423331
1-[(5-bromo-2,4-dimethoxy-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117483351
1-[(2-chloro-3,4-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 66783478

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethoxy-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(2,3-dimethoxy-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine (CID 117376984) is 1-[(2,3-dimethoxy-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(2,3-dimethoxy-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(2,3-dimethoxy-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine is COc1cc(C(C)C)cc(CC2(N)CC2)c1OC.
What is the InChIKey of 1-[(2,3-dimethoxy-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine?
The InChIKey is XBRNUMHNEMTWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10(2)11-7-12(9-15(16)5-6-15)14(18-4)13(8-11)17-3/h7-8,10H,5-6,9,16H2,1-4H3.
What are the key properties of 1-[(2,3-dimethoxy-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine?
1-[(2,3-dimethoxy-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethoxy-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117376984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).