1-[2-(2,3-dimethoxy-6-methylphenyl)ethyl]cyclopropan-1-amine

C14H21NO2 — CID 105496609

IUPAC1-[2-(2,3-dimethoxy-6-methylphenyl)ethyl]cyclopropan-1-amine
SMILESCOc1ccc(C)c(CCC2(N)CC2)c1OC
InChIInChI=1S/C14H21NO2/c1-10-4-5-12(16-2)13(17-3)11(10)6-7-14(15)8-9-14/h4-5H,6-9,15H2,1-3H3
InChIKeyKHYGEHSYZTWNOQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.44
Rot. Bonds5

About 1-[2-(2,3-dimethoxy-6-methylphenyl)ethyl]cyclopropan-1-amine

1-[2-(2,3-dimethoxy-6-methylphenyl)ethyl]cyclopropan-1-amine (PubChem CID 105496609) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[2-(2,3-dimethoxy-6-methylphenyl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(2,3-dimethoxy-6-methylphenyl)ethyl]cyclopropan-1-amine
PubChem CID105496609
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[2-(2,3-dimethoxy-6-methylphenyl)ethyl]cyclopropan-1-amine
SMILESCOc1ccc(C)c(CCC2(N)CC2)c1OC
InChIInChI=1S/C14H21NO2/c1-10-4-5-12(16-2)13(17-3)11(10)6-7-14(15)8-9-14/h4-5H,6-9,15H2,1-3H3
InChIKeyKHYGEHSYZTWNOQ-UHFFFAOYSA-N
XLogP2.44
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-methoxy-2,4,6-trimethylphenyl)ethyl]cyclopropan-1-amine
CID 105493542
3-(2,3-dimethoxy-6-methylphenyl)propanal
CID 117297640
1-[2-(3,4-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 83684647
1-(2,6-dimethoxy-3-methylphenyl)cyclopropan-1-amine
CID 84779676
1-[2-(2-fluoro-6-methylphenyl)ethyl]cyclopropan-1-amine
CID 105447363
1-[2-(6-methoxy-5-methyl-2-pyridinyl)ethyl]cyclopropan-1-amine
CID 105459201
1-[2-(5-fluoro-2-methoxy-4-methylphenyl)ethyl]cyclopropan-1-amine
CID 105480784
1-[2-(4-fluoro-2-methoxy-3-methylphenyl)ethyl]cyclopropan-1-amine
CID 105480780
1-[(2-chloro-3,4-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 66783478
1-[(6-bromo-2-methoxy-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117428483
1-[3-(5-chloro-2-methoxyphenyl)propyl]cyclopropan-1-amine
CID 83912543
1-[2-(4-chloro-2-methoxyphenyl)ethyl]cyclopropan-1-amine
CID 105483503

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dimethoxy-6-methylphenyl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(2,3-dimethoxy-6-methylphenyl)ethyl]cyclopropan-1-amine (CID 105496609) is 1-[2-(2,3-dimethoxy-6-methylphenyl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(2,3-dimethoxy-6-methylphenyl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(2,3-dimethoxy-6-methylphenyl)ethyl]cyclopropan-1-amine is COc1ccc(C)c(CCC2(N)CC2)c1OC.
What is the InChIKey of 1-[2-(2,3-dimethoxy-6-methylphenyl)ethyl]cyclopropan-1-amine?
The InChIKey is KHYGEHSYZTWNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-4-5-12(16-2)13(17-3)11(10)6-7-14(15)8-9-14/h4-5H,6-9,15H2,1-3H3.
What are the key properties of 1-[2-(2,3-dimethoxy-6-methylphenyl)ethyl]cyclopropan-1-amine?
1-[2-(2,3-dimethoxy-6-methylphenyl)ethyl]cyclopropan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethoxy-6-methylphenyl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105496609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).