2-(3,4-dimethoxy-5-methylphenyl)propan-1-amine

C12H19NO2 — CID 117299386

IUPAC2-(3,4-dimethoxy-5-methylphenyl)propan-1-amine
SMILESCOc1cc(C(C)CN)cc(C)c1OC
InChIInChI=1S/C12H19NO2/c1-8-5-10(9(2)7-13)6-11(14-3)12(8)15-4/h5-6,9H,7,13H2,1-4H3
InChIKeyTXDUMNRAHGDFOA-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.07
Rot. Bonds4

About 2-(3,4-dimethoxy-5-methylphenyl)propan-1-amine

2-(3,4-dimethoxy-5-methylphenyl)propan-1-amine (PubChem CID 117299386) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(3,4-dimethoxy-5-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethoxy-5-methylphenyl)propan-1-amine
PubChem CID117299386
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-(3,4-dimethoxy-5-methylphenyl)propan-1-amine
SMILESCOc1cc(C(C)CN)cc(C)c1OC
InChIInChI=1S/C12H19NO2/c1-8-5-10(9(2)7-13)6-11(14-3)12(8)15-4/h5-6,9H,7,13H2,1-4H3
InChIKeyTXDUMNRAHGDFOA-UHFFFAOYSA-N
XLogP2.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-methoxy-5-methylphenyl)propan-1-amine
CID 84783199
2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-amine
CID 117483716
2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-amine
CID 117465253
2-(3,4-dimethoxy-5-methylphenyl)propanoic acid
CID 117321873
3-(3-fluoro-4,5-dimethoxyphenyl)butan-1-amine
CID 117327114
2-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)propan-1-amine
CID 117324048
2-(3,4-dimethylphenyl)propan-1-amine
CID 43316823
5-[4,4-bis(4-methoxy-3,5-dimethylphenyl)butan-2-yl]-2-methoxy-1,3-dimethylbenzene
CID 22900375
(1S)-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171199595
2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-1-amine
CID 117433026
2-(2-chloro-3,4,6-trimethoxyphenyl)propan-1-amine
CID 117403628
4-(4-aminobutan-2-yl)-2-methoxy-6-methylphenol
CID 117299254

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxy-5-methylphenyl)propan-1-amine?
The IUPAC name of 2-(3,4-dimethoxy-5-methylphenyl)propan-1-amine (CID 117299386) is 2-(3,4-dimethoxy-5-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-(3,4-dimethoxy-5-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(3,4-dimethoxy-5-methylphenyl)propan-1-amine is COc1cc(C(C)CN)cc(C)c1OC.
What is the InChIKey of 2-(3,4-dimethoxy-5-methylphenyl)propan-1-amine?
The InChIKey is TXDUMNRAHGDFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8-5-10(9(2)7-13)6-11(14-3)12(8)15-4/h5-6,9H,7,13H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxy-5-methylphenyl)propan-1-amine?
2-(3,4-dimethoxy-5-methylphenyl)propan-1-amine has a molecular weight of 209.29 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxy-5-methylphenyl)propan-1-amine is sourced from PubChem (CID 117299386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).