N-(4-bromo-2,3-dichlorophenyl)-1-cyclopropylpyrrolidin-3-amine

C13H15BrCl2N2 — CID 107788003

IUPACN-(4-bromo-2,3-dichlorophenyl)-1-cyclopropylpyrrolidin-3-amine
SMILESClc1c(Br)ccc(NC2CCN(C3CC3)C2)c1Cl
InChIInChI=1S/C13H15BrCl2N2/c14-10-3-4-11(13(16)12(10)15)17-8-5-6-18(7-8)9-1-2-9/h3-4,8-9,17H,1-2,5-7H2
InChIKeyPYCSUIQRHIDFJX-UHFFFAOYSA-N
MW350.09 g/mol
LogP4.40
Rot. Bonds3

About N-(4-bromo-2,3-dichlorophenyl)-1-cyclopropylpyrrolidin-3-amine

N-(4-bromo-2,3-dichlorophenyl)-1-cyclopropylpyrrolidin-3-amine (PubChem CID 107788003) has the molecular formula C13H15BrCl2N2 and a molecular weight of 350.09 g/mol. Its IUPAC name is N-(4-bromo-2,3-dichlorophenyl)-1-cyclopropylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(4-bromo-2,3-dichlorophenyl)-1-cyclopropylpyrrolidin-3-amine
PubChem CID107788003
Molecular FormulaC13H15BrCl2N2
Molecular Weight350.09 g/mol
Exact Mass347.98
IUPAC NameN-(4-bromo-2,3-dichlorophenyl)-1-cyclopropylpyrrolidin-3-amine
SMILESClc1c(Br)ccc(NC2CCN(C3CC3)C2)c1Cl
InChIInChI=1S/C13H15BrCl2N2/c14-10-3-4-11(13(16)12(10)15)17-8-5-6-18(7-8)9-1-2-9/h3-4,8-9,17H,1-2,5-7H2
InChIKeyPYCSUIQRHIDFJX-UHFFFAOYSA-N
XLogP4.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.09
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2,3-dichlorophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 107787830
4-bromo-2,3-dichloro-N-cyclobutylaniline
CID 107787892
1-cyclopropyl-N-(2,4-difluorophenyl)pyrrolidin-3-amine
CID 55139840
3-chloro-1-N-(1-cyclopropylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 62981650
ethyl 4-(4-bromo-2,3-dichloroanilino)piperidine-1-carboxylate
CID 107787982
4-chloro-2-[(1-cyclopropylpyrrolidin-3-yl)amino]benzoic acid
CID 63081661
4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methylpyridazin-3-one
CID 115611041
2,6-dichloro-1-N-(1-cyclopropylpyrrolidin-3-yl)benzene-1,4-diamine
CID 106890228
N-(3-chloro-2-nitrophenyl)-1-cyclopropylpyrrolidin-3-amine
CID 104835856
1-cyclopropyl-N-(2,6-difluorophenyl)pyrrolidin-3-amine
CID 62983179
6-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-2-methylsulfanylpyrimidin-4-amine
CID 80546981
5-bromo-N-(1-cyclopropylpyrrolidin-3-yl)isoquinolin-1-amine
CID 106538206

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-1-cyclopropylpyrrolidin-3-amine?
The IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-1-cyclopropylpyrrolidin-3-amine (CID 107788003) is N-(4-bromo-2,3-dichlorophenyl)-1-cyclopropylpyrrolidin-3-amine.
What is the SMILES notation for N-(4-bromo-2,3-dichlorophenyl)-1-cyclopropylpyrrolidin-3-amine?
The canonical SMILES for N-(4-bromo-2,3-dichlorophenyl)-1-cyclopropylpyrrolidin-3-amine is Clc1c(Br)ccc(NC2CCN(C3CC3)C2)c1Cl.
What is the InChIKey of N-(4-bromo-2,3-dichlorophenyl)-1-cyclopropylpyrrolidin-3-amine?
The InChIKey is PYCSUIQRHIDFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrCl2N2/c14-10-3-4-11(13(16)12(10)15)17-8-5-6-18(7-8)9-1-2-9/h3-4,8-9,17H,1-2,5-7H2.
What are the key properties of N-(4-bromo-2,3-dichlorophenyl)-1-cyclopropylpyrrolidin-3-amine?
N-(4-bromo-2,3-dichlorophenyl)-1-cyclopropylpyrrolidin-3-amine has a molecular weight of 350.09 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dichlorophenyl)-1-cyclopropylpyrrolidin-3-amine is sourced from PubChem (CID 107788003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).