2-(1-aminoethenyl)-3-chloro-N-(5-chloropent-1-en-2-yl)aniline

C13H16Cl2N2 — CID 167231825

IUPAC2-(1-aminoethenyl)-3-chloro-N-(5-chloropent-1-en-2-yl)aniline
SMILESC=C(CCCCl)Nc1cccc(Cl)c1C(=C)N
InChIInChI=1S/C13H16Cl2N2/c1-9(5-4-8-14)17-12-7-3-6-11(15)13(12)10(2)16/h3,6-7,17H,1-2,4-5,8,16H2
InChIKeyNDPMYVIIQKASSE-UHFFFAOYSA-N
MW271.19 g/mol
LogP4.21
Rot. Bonds6

About 2-(1-aminoethenyl)-3-chloro-N-(5-chloropent-1-en-2-yl)aniline

2-(1-aminoethenyl)-3-chloro-N-(5-chloropent-1-en-2-yl)aniline (PubChem CID 167231825) has the molecular formula C13H16Cl2N2 and a molecular weight of 271.19 g/mol. Its IUPAC name is 2-(1-aminoethenyl)-3-chloro-N-(5-chloropent-1-en-2-yl)aniline.

Molecular Properties

Compound Name2-(1-aminoethenyl)-3-chloro-N-(5-chloropent-1-en-2-yl)aniline
PubChem CID167231825
Molecular FormulaC13H16Cl2N2
Molecular Weight271.19 g/mol
Exact Mass270.07
IUPAC Name2-(1-aminoethenyl)-3-chloro-N-(5-chloropent-1-en-2-yl)aniline
SMILESC=C(CCCCl)Nc1cccc(Cl)c1C(=C)N
InChIInChI=1S/C13H16Cl2N2/c1-9(5-4-8-14)17-12-7-3-6-11(15)13(12)10(2)16/h3,6-7,17H,1-2,4-5,8,16H2
InChIKeyNDPMYVIIQKASSE-UHFFFAOYSA-N
XLogP4.21
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(carbamoylamino)-6-chlorophenyl]prop-2-enoic acid
CID 68533405
2-(4-aminobutanoylamino)-6-chlorobenzoic acid
CID 63722595
2-(6-aminohexanoylamino)-6-chlorobenzoic acid
CID 63724633
2,6-dichloro-N-(3-chloropropyl)benzamide
CID 3367173
2-chloro-6-(pentanoylamino)benzoic acid
CID 55231346
2-N-oct-1-en-2-ylbenzene-1,2-diamine
CID 145023229
3-(2-carbamoyl-3-chloroanilino)propanoic acid
CID 62501578
2-chloro-6-(methylamino)benzamide
CID 58906344
5-amino-N-(2-bromo-3-chlorophenyl)pentanamide
CID 103479361
3-chloro-N-(3-chloro-2-fluorophenyl)propanamide
CID 28830698
2-chloro-6-(prop-2-enoylamino)benzoic acid
CID 63723930
1-(2-amino-6-chlorophenyl)-3-chloropropan-1-one
CID 118852598

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethenyl)-3-chloro-N-(5-chloropent-1-en-2-yl)aniline?
The IUPAC name of 2-(1-aminoethenyl)-3-chloro-N-(5-chloropent-1-en-2-yl)aniline (CID 167231825) is 2-(1-aminoethenyl)-3-chloro-N-(5-chloropent-1-en-2-yl)aniline.
What is the SMILES notation for 2-(1-aminoethenyl)-3-chloro-N-(5-chloropent-1-en-2-yl)aniline?
The canonical SMILES for 2-(1-aminoethenyl)-3-chloro-N-(5-chloropent-1-en-2-yl)aniline is C=C(CCCCl)Nc1cccc(Cl)c1C(=C)N.
What is the InChIKey of 2-(1-aminoethenyl)-3-chloro-N-(5-chloropent-1-en-2-yl)aniline?
The InChIKey is NDPMYVIIQKASSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2/c1-9(5-4-8-14)17-12-7-3-6-11(15)13(12)10(2)16/h3,6-7,17H,1-2,4-5,8,16H2.
What are the key properties of 2-(1-aminoethenyl)-3-chloro-N-(5-chloropent-1-en-2-yl)aniline?
2-(1-aminoethenyl)-3-chloro-N-(5-chloropent-1-en-2-yl)aniline has a molecular weight of 271.19 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethenyl)-3-chloro-N-(5-chloropent-1-en-2-yl)aniline is sourced from PubChem (CID 167231825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).