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

C10H14N2 — CID 55283470

IUPAC4-(1-aminoprop-2-enyl)-3-methylaniline
SMILESC=CC(N)c1ccc(N)cc1C
InChIInChI=1S/C10H14N2/c1-3-10(12)9-5-4-8(11)6-7(9)2/h3-6,10H,1,11-12H2,2H3
InChIKeyGOTNRMBUOVGILH-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.76
Rot. Bonds2

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

4-(1-aminoprop-2-enyl)-3-methylaniline (PubChem CID 55283470) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 4-(1-aminoprop-2-enyl)-3-methylaniline.

Molecular Properties

Compound Name4-(1-aminoprop-2-enyl)-3-methylaniline
PubChem CID55283470
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name4-(1-aminoprop-2-enyl)-3-methylaniline
SMILESC=CC(N)c1ccc(N)cc1C
InChIInChI=1S/C10H14N2/c1-3-10(12)9-5-4-8(11)6-7(9)2/h3-6,10H,1,11-12H2,2H3
InChIKeyGOTNRMBUOVGILH-UHFFFAOYSA-N
XLogP1.76
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(4-chloro-2-methylphenyl)prop-2-en-1-amine;hydrochloride
CID 171231441
4-[(1R)-1-aminoethyl]-3-methylaniline
CID 55273899
4-(1-aminoprop-2-enyl)-3-methylbenzonitrile
CID 130002637
4-[(1R)-1-amino-2-methylpropyl]-3-methylaniline
CID 55275534
4-[1-(4-amino-2-methylphenyl)ethyl]-3-methylaniline
CID 688047
2-(1-aminoprop-2-enyl)-4,6-dimethylaniline
CID 55282340
4-[(1R)-1-aminoprop-2-enyl]-2,5-dimethylphenol
CID 130612517
(1R)-1-(5-bromo-2-methylphenyl)prop-2-en-1-amine;hydrochloride
CID 171203845
1-(6-methyl-1,3-benzodioxol-5-yl)prop-2-en-1-amine
CID 83636881
(1R)-1-(3,5-difluoro-2-methylphenyl)prop-2-en-1-amine
CID 55291930
1-(3,5-difluoro-2-methylphenyl)prop-2-en-1-amine
CID 55283662
(1S)-1-(2-iodo-3-methylphenyl)prop-2-en-1-amine
CID 130706811

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoprop-2-enyl)-3-methylaniline?
The IUPAC name of 4-(1-aminoprop-2-enyl)-3-methylaniline (CID 55283470) is 4-(1-aminoprop-2-enyl)-3-methylaniline.
What is the SMILES notation for 4-(1-aminoprop-2-enyl)-3-methylaniline?
The canonical SMILES for 4-(1-aminoprop-2-enyl)-3-methylaniline is C=CC(N)c1ccc(N)cc1C.
What is the InChIKey of 4-(1-aminoprop-2-enyl)-3-methylaniline?
The InChIKey is GOTNRMBUOVGILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-3-10(12)9-5-4-8(11)6-7(9)2/h3-6,10H,1,11-12H2,2H3.
What are the key properties of 4-(1-aminoprop-2-enyl)-3-methylaniline?
4-(1-aminoprop-2-enyl)-3-methylaniline has a molecular weight of 162.24 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoprop-2-enyl)-3-methylaniline is sourced from PubChem (CID 55283470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).