4-[(2R)-2-aminobutyl]-2,5-dimethoxyaniline

C12H20N2O2 — CID 54283299

IUPAC4-[(2R)-2-aminobutyl]-2,5-dimethoxyaniline
SMILESCC[C@@H](N)Cc1cc(OC)c(N)cc1OC
InChIInChI=1S/C12H20N2O2/c1-4-9(13)5-8-6-12(16-3)10(14)7-11(8)15-2/h6-7,9H,4-5,13-14H2,1-3H3/t9-/m1/s1
InChIKeyRSHZRAACDMYHMP-SECBINFHSA-N
MW224.30 g/mol
LogP1.57
Rot. Bonds5

About 4-[(2R)-2-aminobutyl]-2,5-dimethoxyaniline

4-[(2R)-2-aminobutyl]-2,5-dimethoxyaniline (PubChem CID 54283299) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-[(2R)-2-aminobutyl]-2,5-dimethoxyaniline.

Molecular Properties

Compound Name4-[(2R)-2-aminobutyl]-2,5-dimethoxyaniline
PubChem CID54283299
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4-[(2R)-2-aminobutyl]-2,5-dimethoxyaniline
SMILESCC[C@@H](N)Cc1cc(OC)c(N)cc1OC
InChIInChI=1S/C12H20N2O2/c1-4-9(13)5-8-6-12(16-3)10(14)7-11(8)15-2/h6-7,9H,4-5,13-14H2,1-3H3/t9-/m1/s1
InChIKeyRSHZRAACDMYHMP-SECBINFHSA-N
XLogP1.57
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminobutyl)-2,5-dimethoxyaniline;hydrochloride
CID 45264254
1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine;ethane
CID 176553687
1-(4-hexyl-2,5-dimethoxyphenyl)butan-2-amine
CID 165123636
1-(2-ethyl-4,5-dimethoxyphenyl)butan-2-amine;hydrochloride
CID 170890492
1-[5-ethoxy-2-methoxy-4-(methoxymethyl)phenyl]butan-2-amine
CID 167243568
1-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butan-2-amine
CID 170890550
1-[4-(3,3-difluorobutyl)-2,5-dimethoxyphenyl]butan-2-amine
CID 176553694
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680
1-[4-(1,1-difluoroethyl)-5-ethoxy-2-methoxyphenyl]butan-2-amine
CID 167243727
1-(2,5-difluoro-4-methoxyphenyl)butan-2-amine
CID 170890367
1-(2-methoxy-5-propylphenyl)butan-2-amine
CID 170890563
1-(2-ethoxy-4,5-dimethylphenyl)butan-2-amine
CID 170890416

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-aminobutyl]-2,5-dimethoxyaniline?
The IUPAC name of 4-[(2R)-2-aminobutyl]-2,5-dimethoxyaniline (CID 54283299) is 4-[(2R)-2-aminobutyl]-2,5-dimethoxyaniline.
What is the SMILES notation for 4-[(2R)-2-aminobutyl]-2,5-dimethoxyaniline?
The canonical SMILES for 4-[(2R)-2-aminobutyl]-2,5-dimethoxyaniline is CC[C@@H](N)Cc1cc(OC)c(N)cc1OC.
What is the InChIKey of 4-[(2R)-2-aminobutyl]-2,5-dimethoxyaniline?
The InChIKey is RSHZRAACDMYHMP-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-9(13)5-8-6-12(16-3)10(14)7-11(8)15-2/h6-7,9H,4-5,13-14H2,1-3H3/t9-/m1/s1.
What are the key properties of 4-[(2R)-2-aminobutyl]-2,5-dimethoxyaniline?
4-[(2R)-2-aminobutyl]-2,5-dimethoxyaniline has a molecular weight of 224.30 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-aminobutyl]-2,5-dimethoxyaniline is sourced from PubChem (CID 54283299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).