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

C11H15BrN2 — CID 53256327

IUPAC(3R)-1-[(4-bromophenyl)methyl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C11H15BrN2/c12-10-3-1-9(2-4-10)7-14-6-5-11(13)8-14/h1-4,11H,5-8,13H2/t11-/m1/s1
InChIKeyZHJQXMFKXUEQEM-LLVKDONJSA-N
MW255.16 g/mol
LogP1.98
Rot. Bonds2

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

(3R)-1-[(4-bromophenyl)methyl]pyrrolidin-3-amine (PubChem CID 53256327) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is (3R)-1-[(4-bromophenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(4-bromophenyl)methyl]pyrrolidin-3-amine
PubChem CID53256327
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name(3R)-1-[(4-bromophenyl)methyl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C11H15BrN2/c12-10-3-1-9(2-4-10)7-14-6-5-11(13)8-14/h1-4,11H,5-8,13H2/t11-/m1/s1
InChIKeyZHJQXMFKXUEQEM-LLVKDONJSA-N
XLogP1.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 75994008
(3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905330
1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53422149
1-[(4-phenylphenyl)methyl]pyrrolidin-3-amine
CID 62068870
(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine
CID 39225703
(3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol
CID 59424626
1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 11382802
(3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-amine
CID 94339766
(3S)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 94339773
(3R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 68965269
4-bromo-1-[(4-bromophenyl)methyl]piperidine
CID 80680051
1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-amine
CID 59681853

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-bromophenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[(4-bromophenyl)methyl]pyrrolidin-3-amine (CID 53256327) is (3R)-1-[(4-bromophenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[(4-bromophenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[(4-bromophenyl)methyl]pyrrolidin-3-amine is N[C@@H]1CCN(Cc2ccc(Br)cc2)C1.
What is the InChIKey of (3R)-1-[(4-bromophenyl)methyl]pyrrolidin-3-amine?
The InChIKey is ZHJQXMFKXUEQEM-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15BrN2/c12-10-3-1-9(2-4-10)7-14-6-5-11(13)8-14/h1-4,11H,5-8,13H2/t11-/m1/s1.
What are the key properties of (3R)-1-[(4-bromophenyl)methyl]pyrrolidin-3-amine?
(3R)-1-[(4-bromophenyl)methyl]pyrrolidin-3-amine has a molecular weight of 255.16 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-bromophenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 53256327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).