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

C9H11ClN2 — CID 55283411

IUPAC2-(1-aminoprop-2-enyl)-4-chloroaniline
SMILESC=CC(N)c1cc(Cl)ccc1N
InChIInChI=1S/C9H11ClN2/c1-2-8(11)7-5-6(10)3-4-9(7)12/h2-5,8H,1,11-12H2
InChIKeySIICGJBMAAGHKF-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.11
Rot. Bonds2

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

2-(1-aminoprop-2-enyl)-4-chloroaniline (PubChem CID 55283411) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 2-(1-aminoprop-2-enyl)-4-chloroaniline.

Molecular Properties

Compound Name2-(1-aminoprop-2-enyl)-4-chloroaniline
PubChem CID55283411
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name2-(1-aminoprop-2-enyl)-4-chloroaniline
SMILESC=CC(N)c1cc(Cl)ccc1N
InChIInChI=1S/C9H11ClN2/c1-2-8(11)7-5-6(10)3-4-9(7)12/h2-5,8H,1,11-12H2
InChIKeySIICGJBMAAGHKF-UHFFFAOYSA-N
XLogP2.11
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.11
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

1-(5-chloro-2-ethylphenyl)prop-2-en-1-amine
CID 55269972
(1R)-1-(5-chloro-2-methoxyphenyl)prop-2-en-1-amine
CID 131139061
(1S)-1-(4-chloro-2-methylphenyl)prop-2-en-1-amine;hydrochloride
CID 171231441
2-[(1S)-1-aminopent-4-enyl]-4-chloroaniline
CID 171233858
2-[(1R)-1-aminoethyl]-4-chloroaniline;hydrochloride
CID 171214203
3-[(1S)-1-aminoprop-2-enyl]-5-chloropyridin-2-amine
CID 130955912
4-[(1S)-1-aminoprop-2-enyl]-2-chloro-5-fluoroaniline
CID 130614384
2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chloroaniline
CID 130615780
1-(4-chlorophenyl)prop-2-en-1-amine
CID 12987192
(1S)-1-amino-1-(2-amino-5-chlorophenyl)propan-2-ol
CID 130778347
2-[(1S)-1-amino-3-methylbut-3-enyl]-4-chloroaniline
CID 130997859
2-[(R)-amino(cyclopentyl)methyl]-4-chloroaniline
CID 171214222

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoprop-2-enyl)-4-chloroaniline?
The IUPAC name of 2-(1-aminoprop-2-enyl)-4-chloroaniline (CID 55283411) is 2-(1-aminoprop-2-enyl)-4-chloroaniline.
What is the SMILES notation for 2-(1-aminoprop-2-enyl)-4-chloroaniline?
The canonical SMILES for 2-(1-aminoprop-2-enyl)-4-chloroaniline is C=CC(N)c1cc(Cl)ccc1N.
What is the InChIKey of 2-(1-aminoprop-2-enyl)-4-chloroaniline?
The InChIKey is SIICGJBMAAGHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2/c1-2-8(11)7-5-6(10)3-4-9(7)12/h2-5,8H,1,11-12H2.
What are the key properties of 2-(1-aminoprop-2-enyl)-4-chloroaniline?
2-(1-aminoprop-2-enyl)-4-chloroaniline has a molecular weight of 182.65 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoprop-2-enyl)-4-chloroaniline is sourced from PubChem (CID 55283411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).