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

C15H25NO2 — CID 64569277

IUPACN-[(2,3-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
SMILESCOc1cccc(CNCC(C)C(C)C)c1OC
InChIInChI=1S/C15H25NO2/c1-11(2)12(3)9-16-10-13-7-6-8-14(17-4)15(13)18-5/h6-8,11-12,16H,9-10H2,1-5H3
InChIKeyRSDQMJHICZOZKW-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.09
Rot. Bonds7

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

N-[(2,3-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine (PubChem CID 64569277) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
PubChem CID64569277
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
SMILESCOc1cccc(CNCC(C)C(C)C)c1OC
InChIInChI=1S/C15H25NO2/c1-11(2)12(3)9-16-10-13-7-6-8-14(17-4)15(13)18-5/h6-8,11-12,16H,9-10H2,1-5H3
InChIKeyRSDQMJHICZOZKW-UHFFFAOYSA-N
XLogP3.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-2-methoxypropan-1-amine
CID 102696375
2-[(2,3-dimethylbutylamino)methyl]-6-methoxyphenol
CID 64569461
(2R)-3-[(2,3-dimethoxyphenyl)methylamino]propane-1,2-diol
CID 96915436
N-[(2,3-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine
CID 10612980
N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine
CID 39355527
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
N-[(2,3-dimethoxyphenyl)methyl]-3-methylpentan-2-amine
CID 54949454
CID 59317356
CID 59317356
N'-[(2,3-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 60888346
2-[(2,3-dimethoxyphenyl)methylamino]ethanol
CID 4717256
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 769797
1-[(2,3-dimethoxyphenyl)methylamino]-2,3-dimethylbutan-2-ol
CID 111118479

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine (CID 64569277) is N-[(2,3-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine is COc1cccc(CNCC(C)C(C)C)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine?
The InChIKey is RSDQMJHICZOZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11(2)12(3)9-16-10-13-7-6-8-14(17-4)15(13)18-5/h6-8,11-12,16H,9-10H2,1-5H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine?
N-[(2,3-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 64569277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).