[1-(2-bromo-5-chlorophenyl)pyrrolidin-3-yl]methanamine

C11H14BrClN2 — CID 81280509

IUPAC[1-(2-bromo-5-chlorophenyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(c2cc(Cl)ccc2Br)C1
InChIInChI=1S/C11H14BrClN2/c12-10-2-1-9(13)5-11(10)15-4-3-8(6-14)7-15/h1-2,5,8H,3-4,6-7,14H2
InChIKeyPTAFYEWHCOKYNV-UHFFFAOYSA-N
MW289.60 g/mol
LogP2.89
Rot. Bonds2

About [1-(2-bromo-5-chlorophenyl)pyrrolidin-3-yl]methanamine

[1-(2-bromo-5-chlorophenyl)pyrrolidin-3-yl]methanamine (PubChem CID 81280509) has the molecular formula C11H14BrClN2 and a molecular weight of 289.60 g/mol. Its IUPAC name is [1-(2-bromo-5-chlorophenyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-bromo-5-chlorophenyl)pyrrolidin-3-yl]methanamine
PubChem CID81280509
Molecular FormulaC11H14BrClN2
Molecular Weight289.60 g/mol
Exact Mass288.00
IUPAC Name[1-(2-bromo-5-chlorophenyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(c2cc(Cl)ccc2Br)C1
InChIInChI=1S/C11H14BrClN2/c12-10-2-1-9(13)5-11(10)15-4-3-8(6-14)7-15/h1-2,5,8H,3-4,6-7,14H2
InChIKeyPTAFYEWHCOKYNV-UHFFFAOYSA-N
XLogP2.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.60
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,4-dibromophenyl)pyrrolidin-3-yl]methanamine
CID 61474220
[1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanamine
CID 43119509
[1-(2,4,6-trichlorophenyl)pyrrolidin-3-yl]methanamine
CID 43126555
[1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidin-3-yl]methanol
CID 112624254
[1-(2,6-dibromo-4-methylphenyl)pyrrolidin-3-yl]methanamine
CID 43126275
[1-(2-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanamine
CID 43114257
[1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methanamine
CID 107600716
4-[3-(aminomethyl)pyrrolidin-1-yl]-3-chlorobenzamide
CID 63092289
[1-(2,3-difluorophenyl)pyrrolidin-3-yl]methanamine
CID 61076640
[4-chloro-2-(4-propylpiperidin-1-yl)phenyl]methanamine
CID 63081802
[1-[1-(2-bromophenyl)piperidin-4-yl]pyrrolidin-3-yl]methanamine
CID 117005645
[(3R)-1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]methanamine
CID 87263242

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-5-chlorophenyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(2-bromo-5-chlorophenyl)pyrrolidin-3-yl]methanamine (CID 81280509) is [1-(2-bromo-5-chlorophenyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(2-bromo-5-chlorophenyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(2-bromo-5-chlorophenyl)pyrrolidin-3-yl]methanamine is NCC1CCN(c2cc(Cl)ccc2Br)C1.
What is the InChIKey of [1-(2-bromo-5-chlorophenyl)pyrrolidin-3-yl]methanamine?
The InChIKey is PTAFYEWHCOKYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2/c12-10-2-1-9(13)5-11(10)15-4-3-8(6-14)7-15/h1-2,5,8H,3-4,6-7,14H2.
What are the key properties of [1-(2-bromo-5-chlorophenyl)pyrrolidin-3-yl]methanamine?
[1-(2-bromo-5-chlorophenyl)pyrrolidin-3-yl]methanamine has a molecular weight of 289.60 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-5-chlorophenyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 81280509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).