2-(3-aminoprop-1-enyl)-4-methoxyaniline

C10H14N2O — CID 169463650

IUPAC2-(3-aminoprop-1-enyl)-4-methoxyaniline
SMILESCOc1ccc(N)c(C=CCN)c1
InChIInChI=1S/C10H14N2O/c1-13-9-4-5-10(12)8(7-9)3-2-6-11/h2-5,7H,6,11-12H2,1H3
InChIKeyQGCJFZHWNDYNPE-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.25
Rot. Bonds3

About 2-(3-aminoprop-1-enyl)-4-methoxyaniline

2-(3-aminoprop-1-enyl)-4-methoxyaniline (PubChem CID 169463650) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-(3-aminoprop-1-enyl)-4-methoxyaniline.

Molecular Properties

Compound Name2-(3-aminoprop-1-enyl)-4-methoxyaniline
PubChem CID169463650
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name2-(3-aminoprop-1-enyl)-4-methoxyaniline
SMILESCOc1ccc(N)c(C=CCN)c1
InChIInChI=1S/C10H14N2O/c1-13-9-4-5-10(12)8(7-9)3-2-6-11/h2-5,7H,6,11-12H2,1H3
InChIKeyQGCJFZHWNDYNPE-UHFFFAOYSA-N
XLogP1.25
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methanimidoyl-4-methoxyaniline
CID 91224663
(E)-3-(2-ethoxy-4-methoxyphenyl)prop-2-en-1-amine
CID 117295921
(E)-3-(3-chloro-5-methoxy-2-methylphenyl)prop-2-en-1-amine
CID 117302321
2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)aniline
CID 169464113
(E)-5-(2,5-dimethoxyphenyl)pent-4-en-1-amine
CID 95444282
(E)-3-(2,5-dimethoxy-3-methylsulfanylphenyl)prop-2-en-1-amine
CID 117351505
2-(3-aminoprop-1-enyl)-4-nitroaniline
CID 169463865
2-(3-aminoprop-1-enyl)aniline
CID 67152713
1-[(E)-but-1-enyl]-4-methoxy-2-methylbenzene
CID 145499218
(E)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-en-1-amine
CID 117282507
2-(3-hydroxyprop-1-enyl)-4-methoxyphenol
CID 169453185
2-[3-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]-4-methoxyaniline
CID 170806433

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-enyl)-4-methoxyaniline?
The IUPAC name of 2-(3-aminoprop-1-enyl)-4-methoxyaniline (CID 169463650) is 2-(3-aminoprop-1-enyl)-4-methoxyaniline.
What is the SMILES notation for 2-(3-aminoprop-1-enyl)-4-methoxyaniline?
The canonical SMILES for 2-(3-aminoprop-1-enyl)-4-methoxyaniline is COc1ccc(N)c(C=CCN)c1.
What is the InChIKey of 2-(3-aminoprop-1-enyl)-4-methoxyaniline?
The InChIKey is QGCJFZHWNDYNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-13-9-4-5-10(12)8(7-9)3-2-6-11/h2-5,7H,6,11-12H2,1H3.
What are the key properties of 2-(3-aminoprop-1-enyl)-4-methoxyaniline?
2-(3-aminoprop-1-enyl)-4-methoxyaniline has a molecular weight of 178.23 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-enyl)-4-methoxyaniline is sourced from PubChem (CID 169463650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).