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

C12H19NO2 — CID 4717511

IUPACN-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
SMILESCCCNCc1cccc(OC)c1OC
InChIInChI=1S/C12H19NO2/c1-4-8-13-9-10-6-5-7-11(14-2)12(10)15-3/h5-7,13H,4,8-9H2,1-3H3
InChIKeyZLOFCRNSPPHEGK-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.20
Rot. Bonds6

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

N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine (PubChem CID 4717511) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
PubChem CID4717511
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
SMILESCCCNCc1cccc(OC)c1OC
InChIInChI=1S/C12H19NO2/c1-4-8-13-9-10-6-5-7-11(14-2)12(10)15-3/h5-7,13H,4,8-9H2,1-3H3
InChIKeyZLOFCRNSPPHEGK-UHFFFAOYSA-N
XLogP2.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43388382
2-[(2,3-dimethoxyphenyl)methylamino]ethanol
CID 4717256
N'-[(2,3-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 60888346
CID 59317356
CID 59317356
N-[(3-methoxy-2-octoxyphenyl)methyl]propan-1-amine
CID 54804925
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17295657
N-[[2-(2-ethylbutoxy)-3-methoxyphenyl]methyl]propan-1-amine
CID 82927622
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine
CID 17206692
N',N'-dibutyl-N-[(2,3-dimethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17214645
5-[(2,3-dimethoxyphenyl)methylamino]pentan-1-ol
CID 17206697
2-[2-methoxy-6-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 43472013
N-[(3-methoxy-2-pent-3-ynoxyphenyl)methyl]propan-1-amine
CID 104804602

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine (CID 4717511) is N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine is CCCNCc1cccc(OC)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine?
The InChIKey is ZLOFCRNSPPHEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-8-13-9-10-6-5-7-11(14-2)12(10)15-3/h5-7,13H,4,8-9H2,1-3H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine?
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine has a molecular weight of 209.29 g/mol, XLogP of 2.20, 6 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]propan-1-amine is sourced from PubChem (CID 4717511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).