N-[cyclopropyl-(2,3-dimethoxyphenyl)methyl]ethanamine

C14H21NO2 — CID 105157205

IUPACN-[cyclopropyl-(2,3-dimethoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC)c1OC)C1CC1
InChIInChI=1S/C14H21NO2/c1-4-15-13(10-8-9-10)11-6-5-7-12(16-2)14(11)17-3/h5-7,10,13,15H,4,8-9H2,1-3H3
InChIKeyQXCBOPSSCWQWJJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.76
Rot. Bonds6

About N-[cyclopropyl-(2,3-dimethoxyphenyl)methyl]ethanamine

N-[cyclopropyl-(2,3-dimethoxyphenyl)methyl]ethanamine (PubChem CID 105157205) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[cyclopropyl-(2,3-dimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopropyl-(2,3-dimethoxyphenyl)methyl]ethanamine
PubChem CID105157205
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[cyclopropyl-(2,3-dimethoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC)c1OC)C1CC1
InChIInChI=1S/C14H21NO2/c1-4-15-13(10-8-9-10)11-6-5-7-12(16-2)14(11)17-3/h5-7,10,13,15H,4,8-9H2,1-3H3
InChIKeyQXCBOPSSCWQWJJ-UHFFFAOYSA-N
XLogP2.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,3-dimethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 105147214
N-[cyclopentyl(naphthalen-1-yl)methyl]ethanamine
CID 55187374
1-(2,3-dimethoxyphenyl)-N-ethyl-2,2-difluoroethanamine
CID 80605401
1-(2,3-dimethoxyphenyl)-N-ethyl-2-methoxyethanamine
CID 105165629
ethyl 2-(2,3-dimethoxyphenyl)-2-(ethylamino)acetate
CID 54918350
1-(2,3-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine
CID 105154541
N-[(3-bromo-2,4-dimethoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 103523411
N-[cyclopentyl-(2,5-dimethoxyphenyl)methyl]ethanamine
CID 43489527
[(2,3-dimethoxyphenyl)-(2-ethylcyclohexyl)methyl]hydrazine
CID 105309720
N-[cyclopropyl(quinolin-4-yl)methyl]ethanamine
CID 105157242
N-[(2-fluoro-3-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]ethanamine
CID 105025194
N-[cyclohexyl-(2-methoxy-3,4-dimethylphenyl)methyl]ethanamine
CID 103433380

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(2,3-dimethoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[cyclopropyl-(2,3-dimethoxyphenyl)methyl]ethanamine (CID 105157205) is N-[cyclopropyl-(2,3-dimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[cyclopropyl-(2,3-dimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[cyclopropyl-(2,3-dimethoxyphenyl)methyl]ethanamine is CCNC(c1cccc(OC)c1OC)C1CC1.
What is the InChIKey of N-[cyclopropyl-(2,3-dimethoxyphenyl)methyl]ethanamine?
The InChIKey is QXCBOPSSCWQWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-15-13(10-8-9-10)11-6-5-7-12(16-2)14(11)17-3/h5-7,10,13,15H,4,8-9H2,1-3H3.
What are the key properties of N-[cyclopropyl-(2,3-dimethoxyphenyl)methyl]ethanamine?
N-[cyclopropyl-(2,3-dimethoxyphenyl)methyl]ethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(2,3-dimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 105157205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).