N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutan-1-amine

C14H23NO2 — CID 2845586

IUPACN-[(2,3-dimethoxyphenyl)methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1cccc(OC)c1OC
InChIInChI=1S/C14H23NO2/c1-5-6-10-15(2)11-12-8-7-9-13(16-3)14(12)17-4/h7-9H,5-6,10-11H2,1-4H3
InChIKeyWHMCVCGVQDFCGE-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.94
Rot. Bonds7

About N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutan-1-amine

N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutan-1-amine (PubChem CID 2845586) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-N-methylbutan-1-amine
PubChem CID2845586
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1cccc(OC)c1OC
InChIInChI=1S/C14H23NO2/c1-5-6-10-15(2)11-12-8-7-9-13(16-3)14(12)17-4/h7-9H,5-6,10-11H2,1-4H3
InChIKeyWHMCVCGVQDFCGE-UHFFFAOYSA-N
XLogP2.94
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-N-ethylethanamine
CID 4658188
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]butan-1-amine
CID 3537775
N-butyl-2,3-dimethoxy-N-methylbenzamide
CID 78796146
2-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]benzonitrile
CID 27099090
N',N'-dibutyl-N-[(2,3-dimethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17214645
3-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 55136357
3-[butyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 109021987
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-(propylamino)acetamide
CID 60648390
N-[[2-(3-aminopropoxy)phenyl]methyl]-N-methylbutan-1-amine
CID 162214464
6-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 17427057
(2R)-1-[(2,3-dimethoxyphenyl)methyl-methylamino]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 31085223
4-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 54868981

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutan-1-amine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutan-1-amine (CID 2845586) is N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutan-1-amine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutan-1-amine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutan-1-amine is CCCCN(C)Cc1cccc(OC)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutan-1-amine?
The InChIKey is WHMCVCGVQDFCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-6-10-15(2)11-12-8-7-9-13(16-3)14(12)17-4/h7-9H,5-6,10-11H2,1-4H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutan-1-amine?
N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 2845586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).