2-(4-chlorobut-1-enyl)-4-methylaniline

C11H14ClN — CID 170498863

IUPAC2-(4-chlorobut-1-enyl)-4-methylaniline
SMILESCc1ccc(N)c(C=CCCCl)c1
InChIInChI=1S/C11H14ClN/c1-9-5-6-11(13)10(8-9)4-2-3-7-12/h2,4-6,8H,3,7,13H2,1H3
InChIKeyYODZCTOIABNWDL-UHFFFAOYSA-N
MW195.69 g/mol
LogP3.22
Rot. Bonds3

About 2-(4-chlorobut-1-enyl)-4-methylaniline

2-(4-chlorobut-1-enyl)-4-methylaniline (PubChem CID 170498863) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 2-(4-chlorobut-1-enyl)-4-methylaniline.

Molecular Properties

Compound Name2-(4-chlorobut-1-enyl)-4-methylaniline
PubChem CID170498863
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name2-(4-chlorobut-1-enyl)-4-methylaniline
SMILESCc1ccc(N)c(C=CCCCl)c1
InChIInChI=1S/C11H14ClN/c1-9-5-6-11(13)10(8-9)4-2-3-7-12/h2,4-6,8H,3,7,13H2,1H3
InChIKeyYODZCTOIABNWDL-UHFFFAOYSA-N
XLogP3.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-4-chlorobut-1-enyl]-2,4-dimethylbenzene
CID 82076018
2-(3-bromoprop-1-enyl)-4-methylaniline
CID 169475211
3-(4-chlorobut-1-enyl)-4-methylaniline
CID 170498859
2-amino-3-(4-chlorobut-1-enyl)-5-methylbenzoic acid
CID 170499773
2-[(E)-4-chlorobut-1-enyl]aniline;ethenamine
CID 144811193
2-(4-aminobut-1-enyl)-4-chloroaniline
CID 170486646
5-(4-chlorobut-1-enyl)-4-methylpyridin-2-amine
CID 170498810
3-(2-amino-5-methylphenyl)prop-2-enamide
CID 169481556
2-(4-chlorobut-1-enyl)-1,3,5-trimethylbenzene
CID 170498967
4-chloro-2-[4-(methylamino)but-1-enyl]aniline
CID 170495448
3-(4-chlorobut-1-enyl)-4-fluoroaniline
CID 170498824
6-(4-chlorobut-1-enyl)-4-methylpyridin-2-amine
CID 170498802

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobut-1-enyl)-4-methylaniline?
The IUPAC name of 2-(4-chlorobut-1-enyl)-4-methylaniline (CID 170498863) is 2-(4-chlorobut-1-enyl)-4-methylaniline.
What is the SMILES notation for 2-(4-chlorobut-1-enyl)-4-methylaniline?
The canonical SMILES for 2-(4-chlorobut-1-enyl)-4-methylaniline is Cc1ccc(N)c(C=CCCCl)c1.
What is the InChIKey of 2-(4-chlorobut-1-enyl)-4-methylaniline?
The InChIKey is YODZCTOIABNWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-9-5-6-11(13)10(8-9)4-2-3-7-12/h2,4-6,8H,3,7,13H2,1H3.
What are the key properties of 2-(4-chlorobut-1-enyl)-4-methylaniline?
2-(4-chlorobut-1-enyl)-4-methylaniline has a molecular weight of 195.69 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobut-1-enyl)-4-methylaniline is sourced from PubChem (CID 170498863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).