2-(4-aminobut-1-enyl)-4-chloroaniline

C10H13ClN2 — CID 170486646

IUPAC2-(4-aminobut-1-enyl)-4-chloroaniline
SMILESNCCC=Cc1cc(Cl)ccc1N
InChIInChI=1S/C10H13ClN2/c11-9-4-5-10(13)8(7-9)3-1-2-6-12/h1,3-5,7H,2,6,12-13H2
InChIKeyLZFATEZSSGUWHY-UHFFFAOYSA-N
MW196.68 g/mol
LogP2.28
Rot. Bonds3

About 2-(4-aminobut-1-enyl)-4-chloroaniline

2-(4-aminobut-1-enyl)-4-chloroaniline (PubChem CID 170486646) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 2-(4-aminobut-1-enyl)-4-chloroaniline.

Molecular Properties

Compound Name2-(4-aminobut-1-enyl)-4-chloroaniline
PubChem CID170486646
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name2-(4-aminobut-1-enyl)-4-chloroaniline
SMILESNCCC=Cc1cc(Cl)ccc1N
InChIInChI=1S/C10H13ClN2/c11-9-4-5-10(13)8(7-9)3-1-2-6-12/h1,3-5,7H,2,6,12-13H2
InChIKeyLZFATEZSSGUWHY-UHFFFAOYSA-N
XLogP2.28
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[4-(methylamino)but-1-enyl]aniline
CID 170495448
4-(2-amino-5-chlorophenyl)but-3-enamide
CID 170797582
4-(2-amino-5-chlorophenyl)but-3-enoic acid
CID 91346863
2-(4-aminobut-1-enyl)-5-chlorobenzoic acid
CID 170487176
(Z)-4-(3-chlorophenyl)but-3-en-1-amine
CID 58679830
2-(4-chlorobut-1-enyl)-4-methylaniline
CID 170498863
4-(2,4,5-trifluorophenyl)but-3-en-1-amine
CID 170486760
2-(4-aminobut-1-enyl)-6-fluoropyridin-3-amine
CID 170486598
4-(2-chloro-3-fluorophenyl)but-3-en-1-amine
CID 170486532
4-(4-aminobut-1-enyl)-3,5-dichloroaniline
CID 170487000
4-(5-chloro-2-fluoro-4-methylphenyl)but-3-en-1-amine
CID 170486783
4-[2-fluoro-5-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 170487409

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobut-1-enyl)-4-chloroaniline?
The IUPAC name of 2-(4-aminobut-1-enyl)-4-chloroaniline (CID 170486646) is 2-(4-aminobut-1-enyl)-4-chloroaniline.
What is the SMILES notation for 2-(4-aminobut-1-enyl)-4-chloroaniline?
The canonical SMILES for 2-(4-aminobut-1-enyl)-4-chloroaniline is NCCC=Cc1cc(Cl)ccc1N.
What is the InChIKey of 2-(4-aminobut-1-enyl)-4-chloroaniline?
The InChIKey is LZFATEZSSGUWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c11-9-4-5-10(13)8(7-9)3-1-2-6-12/h1,3-5,7H,2,6,12-13H2.
What are the key properties of 2-(4-aminobut-1-enyl)-4-chloroaniline?
2-(4-aminobut-1-enyl)-4-chloroaniline has a molecular weight of 196.68 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobut-1-enyl)-4-chloroaniline is sourced from PubChem (CID 170486646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).