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

C13H21NO3 — CID 102696375

IUPACN-[(2,3-dimethoxyphenyl)methyl]-2-methoxypropan-1-amine
SMILESCOc1cccc(CNCC(C)OC)c1OC
InChIInChI=1S/C13H21NO3/c1-10(15-2)8-14-9-11-6-5-7-12(16-3)13(11)17-4/h5-7,10,14H,8-9H2,1-4H3
InChIKeyLZHCHWRWKZORLK-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.83
Rot. Bonds7

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

N-[(2,3-dimethoxyphenyl)methyl]-2-methoxypropan-1-amine (PubChem CID 102696375) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-2-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-2-methoxypropan-1-amine
PubChem CID102696375
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-2-methoxypropan-1-amine
SMILESCOc1cccc(CNCC(C)OC)c1OC
InChIInChI=1S/C13H21NO3/c1-10(15-2)8-14-9-11-6-5-7-12(16-3)13(11)17-4/h5-7,10,14H,8-9H2,1-4H3
InChIKeyLZHCHWRWKZORLK-UHFFFAOYSA-N
XLogP1.83
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64569277
(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
2-[(2,3-dimethoxyphenyl)methylamino]ethanol
CID 4717256
N'-[(2,3-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 60888346
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 769797
CID 59317356
CID 59317356
2-bromo-6-[(2-methoxypropylamino)methyl]phenol
CID 102696044
1-[(2,3-dimethoxyphenyl)methylamino]-2,3-dimethylbutan-2-ol
CID 111118479
2-[(2,3-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide
CID 43400002

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-methoxypropan-1-amine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-methoxypropan-1-amine (CID 102696375) is N-[(2,3-dimethoxyphenyl)methyl]-2-methoxypropan-1-amine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-2-methoxypropan-1-amine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-2-methoxypropan-1-amine is COc1cccc(CNCC(C)OC)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-2-methoxypropan-1-amine?
The InChIKey is LZHCHWRWKZORLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-10(15-2)8-14-9-11-6-5-7-12(16-3)13(11)17-4/h5-7,10,14H,8-9H2,1-4H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-2-methoxypropan-1-amine?
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxypropan-1-amine has a molecular weight of 239.31 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-2-methoxypropan-1-amine is sourced from PubChem (CID 102696375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).