N-[(3,4-dimethoxyphenyl)methyl]butan-2-amine

C13H21NO2 — CID 4717032

IUPACN-[(3,4-dimethoxyphenyl)methyl]butan-2-amine
SMILESCCC(C)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C13H21NO2/c1-5-10(2)14-9-11-6-7-12(15-3)13(8-11)16-4/h6-8,10,14H,5,9H2,1-4H3
InChIKeyLOJMAQUUOZIZOY-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.59
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]butan-2-amine

N-[(3,4-dimethoxyphenyl)methyl]butan-2-amine (PubChem CID 4717032) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]butan-2-amine
PubChem CID4717032
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]butan-2-amine
SMILESCCC(C)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C13H21NO2/c1-5-10(2)14-9-11-6-7-12(15-3)13(8-11)16-4/h6-8,10,14H,5,9H2,1-4H3
InChIKeyLOJMAQUUOZIZOY-UHFFFAOYSA-N
XLogP2.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(3,4-dimethoxyphenyl)methylamino]propan-1-ol
CID 114985562
(2S)-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 40726611
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride
CID 17291372
N-[(3,4-dimethoxyphenyl)methyl]octan-2-amine
CID 43085029
N-[(3,4-dimethoxyphenyl)methyl]pent-4-yn-2-amine
CID 115660255
2-[4-[[[(2R)-butan-2-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 94458976
1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 57046449
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride
CID 17293993
(2S)-2-[(3,4-dimethoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 23623616
2-[(3,4-dimethoxyphenyl)methylamino]butanoic acid
CID 64668160
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpentan-2-amine
CID 61463346
3-[(3,4-dimethoxyphenyl)methylamino]pentan-1-ol
CID 111449243

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]butan-2-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]butan-2-amine (CID 4717032) is N-[(3,4-dimethoxyphenyl)methyl]butan-2-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]butan-2-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]butan-2-amine is CCC(C)NCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]butan-2-amine?
The InChIKey is LOJMAQUUOZIZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-5-10(2)14-9-11-6-7-12(15-3)13(8-11)16-4/h6-8,10,14H,5,9H2,1-4H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]butan-2-amine?
N-[(3,4-dimethoxyphenyl)methyl]butan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]butan-2-amine is sourced from PubChem (CID 4717032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).