1-(2-bromo-6-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine

C14H20BrClN2 — CID 114269048

IUPAC1-(2-bromo-6-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
SMILESCC(C)(C(N)c1c(Cl)cccc1Br)N1CCCC1
InChIInChI=1S/C14H20BrClN2/c1-14(2,18-8-3-4-9-18)13(17)12-10(15)6-5-7-11(12)16/h5-7,13H,3-4,8-9,17H2,1-2H3
InChIKeyBGVVCVDHQOXOPU-UHFFFAOYSA-N
MW331.69 g/mol
LogP3.98
Rot. Bonds3

About 1-(2-bromo-6-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine

1-(2-bromo-6-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine (PubChem CID 114269048) has the molecular formula C14H20BrClN2 and a molecular weight of 331.69 g/mol. Its IUPAC name is 1-(2-bromo-6-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-6-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
PubChem CID114269048
Molecular FormulaC14H20BrClN2
Molecular Weight331.69 g/mol
Exact Mass330.05
IUPAC Name1-(2-bromo-6-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
SMILESCC(C)(C(N)c1c(Cl)cccc1Br)N1CCCC1
InChIInChI=1S/C14H20BrClN2/c1-14(2,18-8-3-4-9-18)13(17)12-10(15)6-5-7-11(12)16/h5-7,13H,3-4,8-9,17H2,1-2H3
InChIKeyBGVVCVDHQOXOPU-UHFFFAOYSA-N
XLogP3.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.69
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 1-(2-bromo-6-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine (CID 114269048) is 1-(2-bromo-6-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 1-(2-bromo-6-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 1-(2-bromo-6-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine is CC(C)(C(N)c1c(Cl)cccc1Br)N1CCCC1.
What is the InChIKey of 1-(2-bromo-6-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is BGVVCVDHQOXOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN2/c1-14(2,18-8-3-4-9-18)13(17)12-10(15)6-5-7-11(12)16/h5-7,13H,3-4,8-9,17H2,1-2H3.
What are the key properties of 1-(2-bromo-6-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine?
1-(2-bromo-6-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 331.69 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 114269048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).