2-(3,4-dimethoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine

C18H29NO2 — CID 66476717

IUPAC2-(3,4-dimethoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
SMILESCNC(Cc1ccc(OC)c(OC)c1)C1C(C)(C)C1(C)C
InChIInChI=1S/C18H29NO2/c1-17(2)16(18(17,3)4)13(19-5)10-12-8-9-14(20-6)15(11-12)21-7/h8-9,11,13,16,19H,10H2,1-7H3
InChIKeyFFSZRZJNUUDVID-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.52
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine

2-(3,4-dimethoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine (PubChem CID 66476717) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
PubChem CID66476717
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-(3,4-dimethoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
SMILESCNC(Cc1ccc(OC)c(OC)c1)C1C(C)(C)C1(C)C
InChIInChI=1S/C18H29NO2/c1-17(2)16(18(17,3)4)13(19-5)10-12-8-9-14(20-6)15(11-12)21-7/h8-9,11,13,16,19H,10H2,1-7H3
InChIKeyFFSZRZJNUUDVID-UHFFFAOYSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
2-(3,4-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 3070941
1-(3,4-dimethoxyphenyl)-N,4-dimethylpent-4-en-2-amine
CID 79179584
1-(3,4-dimethoxyphenyl)-N-methylhept-5-yn-2-amine
CID 104804912
1-(3,4-dimethoxyphenyl)-N,4,5,5-tetramethylhexan-2-amine
CID 63834170
4-(2-bromo-2-cyclopentylethyl)-1,2-dimethoxybenzene
CID 63017232
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 115829530
2-(3,4-dimethoxyphenyl)-N-methyl-1-(3-methylphenyl)ethanamine
CID 60864252
[2-(5-chloro-2-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]hydrazine
CID 105297633
4-(3-chloro-2-methylpropyl)-1,2-dimethoxybenzene
CID 64666940
1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanamine
CID 60865346
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine
CID 115897346

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine (CID 66476717) is 2-(3,4-dimethoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine is CNC(Cc1ccc(OC)c(OC)c1)C1C(C)(C)C1(C)C.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine?
The InChIKey is FFSZRZJNUUDVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-17(2)16(18(17,3)4)13(19-5)10-12-8-9-14(20-6)15(11-12)21-7/h8-9,11,13,16,19H,10H2,1-7H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine?
2-(3,4-dimethoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine has a molecular weight of 291.44 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine is sourced from PubChem (CID 66476717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).