2-(2-bromo-5-chlorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine

C16H23BrClN3 — CID 66155655

IUPAC2-(2-bromo-5-chlorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
SMILESNCC(c1cc(Cl)ccc1Br)N1CCC(N2CCCC2)C1
InChIInChI=1S/C16H23BrClN3/c17-15-4-3-12(18)9-14(15)16(10-19)21-8-5-13(11-21)20-6-1-2-7-20/h3-4,9,13,16H,1-2,5-8,10-11,19H2
InChIKeyCVMLSTZKICIDKF-UHFFFAOYSA-N
MW372.74 g/mol
LogP3.27
Rot. Bonds4

About 2-(2-bromo-5-chlorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine

2-(2-bromo-5-chlorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine (PubChem CID 66155655) has the molecular formula C16H23BrClN3 and a molecular weight of 372.74 g/mol. Its IUPAC name is 2-(2-bromo-5-chlorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-chlorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
PubChem CID66155655
Molecular FormulaC16H23BrClN3
Molecular Weight372.74 g/mol
Exact Mass371.08
IUPAC Name2-(2-bromo-5-chlorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
SMILESNCC(c1cc(Cl)ccc1Br)N1CCC(N2CCCC2)C1
InChIInChI=1S/C16H23BrClN3/c17-15-4-3-12(18)9-14(15)16(10-19)21-8-5-13(11-21)20-6-1-2-7-20/h3-4,9,13,16H,1-2,5-8,10-11,19H2
InChIKeyCVMLSTZKICIDKF-UHFFFAOYSA-N
XLogP3.27
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.74
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 63171544
2-(4-bromo-3-methylphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 66472651
2-(3-chloro-2-fluorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 114487914
2-(2-bromo-5-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
CID 66155643
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-(2,3-dichlorophenyl)ethanamine
CID 63149837
2-(3-methylthiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 63171808
2-(3-chlorophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine
CID 63171639
2-(2,5-dichlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 114076201
2-(5-methylfuran-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 55160318
2-pyrimidin-4-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 63987004
2-(3-bromothiophen-2-yl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine
CID 115380442
4-chloro-2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]aniline
CID 79583365

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chlorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(2-bromo-5-chlorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine (CID 66155655) is 2-(2-bromo-5-chlorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(2-bromo-5-chlorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(2-bromo-5-chlorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine is NCC(c1cc(Cl)ccc1Br)N1CCC(N2CCCC2)C1.
What is the InChIKey of 2-(2-bromo-5-chlorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine?
The InChIKey is CVMLSTZKICIDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrClN3/c17-15-4-3-12(18)9-14(15)16(10-19)21-8-5-13(11-21)20-6-1-2-7-20/h3-4,9,13,16H,1-2,5-8,10-11,19H2.
What are the key properties of 2-(2-bromo-5-chlorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine?
2-(2-bromo-5-chlorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine has a molecular weight of 372.74 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chlorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 66155655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).