1-[3-(3-ethoxyphenyl)-2,2-dimethylcyclopropyl]-N-methylmethanamine

C15H23NO — CID 114229412

IUPAC1-[3-(3-ethoxyphenyl)-2,2-dimethylcyclopropyl]-N-methylmethanamine
SMILESCCOc1cccc(C2C(CNC)C2(C)C)c1
InChIInChI=1S/C15H23NO/c1-5-17-12-8-6-7-11(9-12)14-13(10-16-4)15(14,2)3/h6-9,13-14,16H,5,10H2,1-4H3
InChIKeySDDNODKJWGWKJO-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.04
Rot. Bonds5

About 1-[3-(3-ethoxyphenyl)-2,2-dimethylcyclopropyl]-N-methylmethanamine

1-[3-(3-ethoxyphenyl)-2,2-dimethylcyclopropyl]-N-methylmethanamine (PubChem CID 114229412) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-[3-(3-ethoxyphenyl)-2,2-dimethylcyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(3-ethoxyphenyl)-2,2-dimethylcyclopropyl]-N-methylmethanamine
PubChem CID114229412
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-[3-(3-ethoxyphenyl)-2,2-dimethylcyclopropyl]-N-methylmethanamine
SMILESCCOc1cccc(C2C(CNC)C2(C)C)c1
InChIInChI=1S/C15H23NO/c1-5-17-12-8-6-7-11(9-12)14-13(10-16-4)15(14,2)3/h6-9,13-14,16H,5,10H2,1-4H3
InChIKeySDDNODKJWGWKJO-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-ethoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81030403
3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-ol
CID 81415009
4-(3-ethoxyphenyl)-5,5-dimethylpyrrolidin-2-one
CID 66107639
3-(3-ethoxyphenyl)-2,2-dimethylpyrrolidine
CID 62354565
3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-one
CID 81415089
3-(3-ethoxyphenyl)-2-ethyl-2-methylcyclobutan-1-one
CID 81415576
N-methyl-1-[2-(3-propoxyphenyl)cyclopropyl]methanamine
CID 62704932
2-(3-ethoxyphenyl)cyclopropan-1-amine;hydrochloride
CID 71758190
1-(3-ethoxyphenyl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724266
[(1S,3S)-3-(4-ethoxy-2-methylphenyl)-2,2-dimethylcyclopropyl]methanamine
CID 178197114
N-[(3-ethoxyphenyl)methyl]prop-2-yn-1-amine
CID 60873507
3-ethoxy-N,N-bis(3-ethoxyphenyl)aniline
CID 70603517

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-ethoxyphenyl)-2,2-dimethylcyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(3-ethoxyphenyl)-2,2-dimethylcyclopropyl]-N-methylmethanamine (CID 114229412) is 1-[3-(3-ethoxyphenyl)-2,2-dimethylcyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(3-ethoxyphenyl)-2,2-dimethylcyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(3-ethoxyphenyl)-2,2-dimethylcyclopropyl]-N-methylmethanamine is CCOc1cccc(C2C(CNC)C2(C)C)c1.
What is the InChIKey of 1-[3-(3-ethoxyphenyl)-2,2-dimethylcyclopropyl]-N-methylmethanamine?
The InChIKey is SDDNODKJWGWKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-17-12-8-6-7-11(9-12)14-13(10-16-4)15(14,2)3/h6-9,13-14,16H,5,10H2,1-4H3.
What are the key properties of 1-[3-(3-ethoxyphenyl)-2,2-dimethylcyclopropyl]-N-methylmethanamine?
1-[3-(3-ethoxyphenyl)-2,2-dimethylcyclopropyl]-N-methylmethanamine has a molecular weight of 233.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-ethoxyphenyl)-2,2-dimethylcyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 114229412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).