2,6-dichloro-1-N-(1-cyclopropylpyrrolidin-3-yl)benzene-1,4-diamine

C13H17Cl2N3 — CID 106890228

IUPAC2,6-dichloro-1-N-(1-cyclopropylpyrrolidin-3-yl)benzene-1,4-diamine
SMILESNc1cc(Cl)c(NC2CCN(C3CC3)C2)c(Cl)c1
InChIInChI=1S/C13H17Cl2N3/c14-11-5-8(16)6-12(15)13(11)17-9-3-4-18(7-9)10-1-2-10/h5-6,9-10,17H,1-4,7,16H2
InChIKeyPWVCCOMKUQCAOQ-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.22
Rot. Bonds3

About 2,6-dichloro-1-N-(1-cyclopropylpyrrolidin-3-yl)benzene-1,4-diamine

2,6-dichloro-1-N-(1-cyclopropylpyrrolidin-3-yl)benzene-1,4-diamine (PubChem CID 106890228) has the molecular formula C13H17Cl2N3 and a molecular weight of 286.21 g/mol. Its IUPAC name is 2,6-dichloro-1-N-(1-cyclopropylpyrrolidin-3-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dichloro-1-N-(1-cyclopropylpyrrolidin-3-yl)benzene-1,4-diamine
PubChem CID106890228
Molecular FormulaC13H17Cl2N3
Molecular Weight286.21 g/mol
Exact Mass285.08
IUPAC Name2,6-dichloro-1-N-(1-cyclopropylpyrrolidin-3-yl)benzene-1,4-diamine
SMILESNc1cc(Cl)c(NC2CCN(C3CC3)C2)c(Cl)c1
InChIInChI=1S/C13H17Cl2N3/c14-11-5-8(16)6-12(15)13(11)17-9-3-4-18(7-9)10-1-2-10/h5-6,9-10,17H,1-4,7,16H2
InChIKeyPWVCCOMKUQCAOQ-UHFFFAOYSA-N
XLogP3.22
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-N-(1-cyclopropylpyrrolidin-3-yl)pyrimidine-2,4-diamine
CID 80813553
1-cyclopropyl-N-(2,3,5,6-tetrafluorophenyl)pyrrolidin-3-amine
CID 107643590
4-amino-3,5-dichloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
CID 82833146
2-chloro-4-[(1-cyclopropylpyrrolidin-3-yl)amino]benzonitrile
CID 55153801
5-amino-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-3-chlorobenzamide
CID 107196417
1-cyclopropyl-N-(2,6-difluorophenyl)pyrrolidin-3-amine
CID 62983179
5-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-2,1,3-benzothiadiazol-4-amine
CID 65474046
2-N-(1-cyclopropylpyrrolidin-3-yl)-4,5-dimethoxybenzene-1,2-diamine
CID 83001604
1-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590220
3-chloro-1-N-(1-cyclopropylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 62981650
4-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzamide;dihydrochloride
CID 119854816
2,6-dichloro-1-N-(3-methylcyclobutyl)benzene-1,4-diamine
CID 106890772

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-1-N-(1-cyclopropylpyrrolidin-3-yl)benzene-1,4-diamine?
The IUPAC name of 2,6-dichloro-1-N-(1-cyclopropylpyrrolidin-3-yl)benzene-1,4-diamine (CID 106890228) is 2,6-dichloro-1-N-(1-cyclopropylpyrrolidin-3-yl)benzene-1,4-diamine.
What is the SMILES notation for 2,6-dichloro-1-N-(1-cyclopropylpyrrolidin-3-yl)benzene-1,4-diamine?
The canonical SMILES for 2,6-dichloro-1-N-(1-cyclopropylpyrrolidin-3-yl)benzene-1,4-diamine is Nc1cc(Cl)c(NC2CCN(C3CC3)C2)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-1-N-(1-cyclopropylpyrrolidin-3-yl)benzene-1,4-diamine?
The InChIKey is PWVCCOMKUQCAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3/c14-11-5-8(16)6-12(15)13(11)17-9-3-4-18(7-9)10-1-2-10/h5-6,9-10,17H,1-4,7,16H2.
What are the key properties of 2,6-dichloro-1-N-(1-cyclopropylpyrrolidin-3-yl)benzene-1,4-diamine?
2,6-dichloro-1-N-(1-cyclopropylpyrrolidin-3-yl)benzene-1,4-diamine has a molecular weight of 286.21 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-1-N-(1-cyclopropylpyrrolidin-3-yl)benzene-1,4-diamine is sourced from PubChem (CID 106890228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).