3-chloro-1-N-(1-cyclopropylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine

C15H22ClN3 — CID 62981650

IUPAC3-chloro-1-N-(1-cyclopropylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1c(Cl)cccc1NC1CCN(C2CC2)C1
InChIInChI=1S/C15H22ClN3/c1-18(2)15-13(16)4-3-5-14(15)17-11-8-9-19(10-11)12-6-7-12/h3-5,11-12,17H,6-10H2,1-2H3
InChIKeyBQTOBUWFUPSCAL-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.05
Rot. Bonds4

About 3-chloro-1-N-(1-cyclopropylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine

3-chloro-1-N-(1-cyclopropylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 62981650) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 3-chloro-1-N-(1-cyclopropylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-1-N-(1-cyclopropylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID62981650
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name3-chloro-1-N-(1-cyclopropylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1c(Cl)cccc1NC1CCN(C2CC2)C1
InChIInChI=1S/C15H22ClN3/c1-18(2)15-13(16)4-3-5-14(15)17-11-8-9-19(10-11)12-6-7-12/h3-5,11-12,17H,6-10H2,1-2H3
InChIKeyBQTOBUWFUPSCAL-UHFFFAOYSA-N
XLogP3.05
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-N-(1-cyclopropylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 3-chloro-1-N-(1-cyclopropylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine (CID 62981650) is 3-chloro-1-N-(1-cyclopropylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 3-chloro-1-N-(1-cyclopropylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 3-chloro-1-N-(1-cyclopropylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine is CN(C)c1c(Cl)cccc1NC1CCN(C2CC2)C1.
What is the InChIKey of 3-chloro-1-N-(1-cyclopropylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is BQTOBUWFUPSCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-18(2)15-13(16)4-3-5-14(15)17-11-8-9-19(10-11)12-6-7-12/h3-5,11-12,17H,6-10H2,1-2H3.
What are the key properties of 3-chloro-1-N-(1-cyclopropylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
3-chloro-1-N-(1-cyclopropylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 279.81 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-N-(1-cyclopropylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 62981650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).