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

C13H21NO2 — CID 117320597

IUPAC1-(4,5-dimethoxy-2,3-dimethylphenyl)propan-2-amine
SMILESCOc1cc(CC(C)N)c(C)c(C)c1OC
InChIInChI=1S/C13H21NO2/c1-8(14)6-11-7-12(15-4)13(16-5)10(3)9(11)2/h7-8H,6,14H2,1-5H3
InChIKeyLRCAXNOCXUQQRC-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.21
Rot. Bonds4

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

1-(4,5-dimethoxy-2,3-dimethylphenyl)propan-2-amine (PubChem CID 117320597) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(4,5-dimethoxy-2,3-dimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4,5-dimethoxy-2,3-dimethylphenyl)propan-2-amine
PubChem CID117320597
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(4,5-dimethoxy-2,3-dimethylphenyl)propan-2-amine
SMILESCOc1cc(CC(C)N)c(C)c(C)c1OC
InChIInChI=1S/C13H21NO2/c1-8(14)6-11-7-12(15-4)13(16-5)10(3)9(11)2/h7-8H,6,14H2,1-5H3
InChIKeyLRCAXNOCXUQQRC-UHFFFAOYSA-N
XLogP2.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-amine
CID 13209710
2-amino-3-(4,5-dimethoxy-2,3-dimethylphenyl)propanoic acid
CID 117385929
1-(2,3,5-trimethoxy(613C)cyclohexa-1,3,5-trien-1-yl)propan-2-amine
CID 71492453
1-(3-bromo-2,4,5-trimethoxyphenyl)propan-2-amine
CID 117489390
(2R)-1-(5-bromo-2,3-dimethoxyphenyl)propan-2-amine
CID 69396117
1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)propan-2-amine
CID 117432479
6-(2-aminopropyl)-2-chloro-3,4-dimethoxyphenol
CID 117366752
1-(3,4,5-trimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)propan-2-amine
CID 71492617
1-(4-bromo-3-chloro-2,5-dimethoxyphenyl)propan-2-amine
CID 169028862
(2S)-1-(2,5-dimethoxy-4-propylphenyl)propan-2-amine
CID 121489695
1-(3,5-dimethoxy-4-methylphenyl)propan-2-amine;hydrochloride
CID 168891432
(2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrobromide
CID 102602641

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethoxy-2,3-dimethylphenyl)propan-2-amine?
The IUPAC name of 1-(4,5-dimethoxy-2,3-dimethylphenyl)propan-2-amine (CID 117320597) is 1-(4,5-dimethoxy-2,3-dimethylphenyl)propan-2-amine.
What is the SMILES notation for 1-(4,5-dimethoxy-2,3-dimethylphenyl)propan-2-amine?
The canonical SMILES for 1-(4,5-dimethoxy-2,3-dimethylphenyl)propan-2-amine is COc1cc(CC(C)N)c(C)c(C)c1OC.
What is the InChIKey of 1-(4,5-dimethoxy-2,3-dimethylphenyl)propan-2-amine?
The InChIKey is LRCAXNOCXUQQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-8(14)6-11-7-12(15-4)13(16-5)10(3)9(11)2/h7-8H,6,14H2,1-5H3.
What are the key properties of 1-(4,5-dimethoxy-2,3-dimethylphenyl)propan-2-amine?
1-(4,5-dimethoxy-2,3-dimethylphenyl)propan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethoxy-2,3-dimethylphenyl)propan-2-amine is sourced from PubChem (CID 117320597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).