(3S)-1-[(2-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride

C11H17BrCl2N2 — CID 53256252

IUPAC(3S)-1-[(2-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
SMILESCl.Cl.N[C@H]1CCN(Cc2ccccc2Br)C1
InChIInChI=1S/C11H15BrN2.2ClH/c12-11-4-2-1-3-9(11)7-14-6-5-10(13)8-14;;/h1-4,10H,5-8,13H2;2*1H/t10-;;/m0../s1
InChIKeyNAWOUOBUDBFWOE-XRIOVQLTSA-N
MW328.08 g/mol
LogP2.83
Rot. Bonds2

About (3S)-1-[(2-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride

(3S)-1-[(2-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride (PubChem CID 53256252) has the molecular formula C11H17BrCl2N2 and a molecular weight of 328.08 g/mol. Its IUPAC name is (3S)-1-[(2-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name(3S)-1-[(2-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
PubChem CID53256252
Molecular FormulaC11H17BrCl2N2
Molecular Weight328.08 g/mol
Exact Mass326.00
IUPAC Name(3S)-1-[(2-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
SMILESCl.Cl.N[C@H]1CCN(Cc2ccccc2Br)C1
InChIInChI=1S/C11H15BrN2.2ClH/c12-11-4-2-1-3-9(11)7-14-6-5-10(13)8-14;;/h1-4,10H,5-8,13H2;2*1H/t10-;;/m0../s1
InChIKeyNAWOUOBUDBFWOE-XRIOVQLTSA-N
XLogP2.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.08
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(2-bromophenyl)methyl]piperidin-3-amine
CID 24904438
1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917385
(3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933654
[1-[(2-bromophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915654
(3S)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 10680771
1-[(2-bromophenyl)methyl]-3-(2-chloroethyl)pyrrolidine
CID 114800506
(3R)-1-[(2-bromo-4-chlorophenyl)methyl]pyrrolidin-3-amine
CID 119905432
2-[1-[(2-bromophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728391
(3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905304
1-[(2-bromophenyl)methyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904726
3-(bromomethyl)-1-[(2-bromophenyl)methyl]piperidine
CID 80679308
1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidin-3-amine;dihydrochloride
CID 154906169

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride?
The IUPAC name of (3S)-1-[(2-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride (CID 53256252) is (3S)-1-[(2-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for (3S)-1-[(2-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for (3S)-1-[(2-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride is Cl.Cl.N[C@H]1CCN(Cc2ccccc2Br)C1.
What is the InChIKey of (3S)-1-[(2-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride?
The InChIKey is NAWOUOBUDBFWOE-XRIOVQLTSA-N. The full InChI is InChI=1S/C11H15BrN2.2ClH/c12-11-4-2-1-3-9(11)7-14-6-5-10(13)8-14;;/h1-4,10H,5-8,13H2;2*1H/t10-;;/m0../s1.
What are the key properties of (3S)-1-[(2-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride?
(3S)-1-[(2-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride has a molecular weight of 328.08 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 53256252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).