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

C15H25NO2 — CID 43371866

IUPACN-[(2,3-dimethoxyphenyl)methyl]-4-methylpentan-2-amine
SMILESCOc1cccc(CNC(C)CC(C)C)c1OC
InChIInChI=1S/C15H25NO2/c1-11(2)9-12(3)16-10-13-7-6-8-14(17-4)15(13)18-5/h6-8,11-12,16H,9-10H2,1-5H3
InChIKeyYNEGSESPQHSVLB-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.23
Rot. Bonds7

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

N-[(2,3-dimethoxyphenyl)methyl]-4-methylpentan-2-amine (PubChem CID 43371866) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-4-methylpentan-2-amine
PubChem CID43371866
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-4-methylpentan-2-amine
SMILESCOc1cccc(CNC(C)CC(C)C)c1OC
InChIInChI=1S/C15H25NO2/c1-11(2)9-12(3)16-10-13-7-6-8-14(17-4)15(13)18-5/h6-8,11-12,16H,9-10H2,1-5H3
InChIKeyYNEGSESPQHSVLB-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(2,3-dimethoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 775451
N-[(2,3-dimethoxyphenyl)methyl]-3-methylpentan-2-amine
CID 54949454
N-[(2,3-dimethoxyphenyl)methyl]-1,1-diphenylmethanamine
CID 30611700
N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-2-amine
CID 43472032
(1S)-1-(4-bromophenyl)-N-[(2,3-dimethoxyphenyl)methyl]ethanamine
CID 81356463
N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine
CID 11572077
(2S)-2-[(2,3-dimethoxyphenyl)methylamino]butan-1-ol
CID 7061563
(1S)-1-cycloheptyl-N-[(2,3-dimethoxyphenyl)methyl]ethanamine
CID 81391569
N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
CID 54861778
N-[(2,3-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64569277
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxypropan-1-amine
CID 102696375
N-[(2,3-dimethoxyphenyl)methyl]-1-methylsulfanylbutan-2-amine
CID 115899869

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-4-methylpentan-2-amine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-4-methylpentan-2-amine (CID 43371866) is N-[(2,3-dimethoxyphenyl)methyl]-4-methylpentan-2-amine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-4-methylpentan-2-amine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-4-methylpentan-2-amine is COc1cccc(CNC(C)CC(C)C)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-4-methylpentan-2-amine?
The InChIKey is YNEGSESPQHSVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11(2)9-12(3)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]-4-methylpentan-2-amine?
N-[(2,3-dimethoxyphenyl)methyl]-4-methylpentan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 3.23, 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]-4-methylpentan-2-amine is sourced from PubChem (CID 43371866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).