1-[(4-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride

C11H17BrCl2N2 — CID 75994008

IUPAC1-[(4-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
SMILESCl.Cl.NC1CCN(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C11H15BrN2.2ClH/c12-10-3-1-9(2-4-10)7-14-6-5-11(13)8-14;;/h1-4,11H,5-8,13H2;2*1H
InChIKeyJIXOPTKQXMLVRF-UHFFFAOYSA-N
MW328.08 g/mol
LogP2.83
Rot. Bonds2

About 1-[(4-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride

1-[(4-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride (PubChem CID 75994008) has the molecular formula C11H17BrCl2N2 and a molecular weight of 328.08 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
PubChem CID75994008
Molecular FormulaC11H17BrCl2N2
Molecular Weight328.08 g/mol
Exact Mass326.00
IUPAC Name1-[(4-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
SMILESCl.Cl.NC1CCN(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C11H15BrN2.2ClH/c12-10-3-1-9(2-4-10)7-14-6-5-11(13)8-14;;/h1-4,11H,5-8,13H2;2*1H
InChIKeyJIXOPTKQXMLVRF-UHFFFAOYSA-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

(3R)-1-[(4-bromophenyl)methyl]pyrrolidin-3-amine
CID 53256327
1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53422149
(3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905330
1-[(4-phenylphenyl)methyl]pyrrolidin-3-amine
CID 62068870
(3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol
CID 59424626
(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine
CID 39225703
1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 11382802
(3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-amine
CID 94339766
(3R)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120833880
(3S)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 94339773
(3R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 68965269
1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 71644404

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride?
The IUPAC name of 1-[(4-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride (CID 75994008) is 1-[(4-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for 1-[(4-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride is Cl.Cl.NC1CCN(Cc2ccc(Br)cc2)C1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride?
The InChIKey is JIXOPTKQXMLVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2.2ClH/c12-10-3-1-9(2-4-10)7-14-6-5-11(13)8-14;;/h1-4,11H,5-8,13H2;2*1H.
What are the key properties of 1-[(4-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride?
1-[(4-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 1-[(4-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 75994008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).