N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine

C15H25NO3 — CID 115584563

IUPACN-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine
SMILESCOc1cccc(CNCCOCC(C)C)c1OC
InChIInChI=1S/C15H25NO3/c1-12(2)11-19-9-8-16-10-13-6-5-7-14(17-3)15(13)18-4/h5-7,12,16H,8-11H2,1-4H3
InChIKeyFZGRSQKAZKDQFV-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.47
Rot. Bonds9

About N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine

N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine (PubChem CID 115584563) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine
PubChem CID115584563
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine
SMILESCOc1cccc(CNCCOCC(C)C)c1OC
InChIInChI=1S/C15H25NO3/c1-12(2)11-19-9-8-16-10-13-6-5-7-14(17-3)15(13)18-4/h5-7,12,16H,8-11H2,1-4H3
InChIKeyFZGRSQKAZKDQFV-UHFFFAOYSA-N
XLogP2.47
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17295657
N-[[3-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 106449862
2-(2,2-difluoroethoxy)-N-[(3-ethoxy-2-methoxyphenyl)methyl]ethanamine
CID 103080982
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
2-[2-[(2,3-dimethoxyphenyl)methylamino]ethoxy]acetamide
CID 106235488
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine
CID 17206692
2-[(2,3-dimethoxyphenyl)methylamino]ethanol
CID 4717256
N'-[(2,3-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 60888346
CID 59317356
CID 59317356
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-ethoxyethanamine
CID 43627884
N-[[3-methoxy-2-(2-methylpropoxy)phenyl]methyl]-2-phenylethanamine
CID 39455826
(2S)-N-[(2,3-dimethoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 775451

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine (CID 115584563) is N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine is COc1cccc(CNCCOCC(C)C)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine?
The InChIKey is FZGRSQKAZKDQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-12(2)11-19-9-8-16-10-13-6-5-7-14(17-3)15(13)18-4/h5-7,12,16H,8-11H2,1-4H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine?
N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine has a molecular weight of 267.37 g/mol, XLogP of 2.47, 9 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-(2-methylpropoxy)ethanamine is sourced from PubChem (CID 115584563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).