(3S)-1-(4-bromophenyl)pyrrolidin-3-amine

C10H13BrN2 — CID 51663654

IUPAC(3S)-1-(4-bromophenyl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(c2ccc(Br)cc2)C1
InChIInChI=1S/C10H13BrN2/c11-8-1-3-10(4-2-8)13-6-5-9(12)7-13/h1-4,9H,5-7,12H2/t9-/m0/s1
InChIKeyLRHBHZLCNNQRDB-VIFPVBQESA-N
MW241.13 g/mol
LogP1.99
Rot. Bonds1

About (3S)-1-(4-bromophenyl)pyrrolidin-3-amine

(3S)-1-(4-bromophenyl)pyrrolidin-3-amine (PubChem CID 51663654) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is (3S)-1-(4-bromophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(4-bromophenyl)pyrrolidin-3-amine
PubChem CID51663654
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name(3S)-1-(4-bromophenyl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(c2ccc(Br)cc2)C1
InChIInChI=1S/C10H13BrN2/c11-8-1-3-10(4-2-8)13-6-5-9(12)7-13/h1-4,9H,5-7,12H2/t9-/m0/s1
InChIKeyLRHBHZLCNNQRDB-VIFPVBQESA-N
XLogP1.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(4-bromophenyl)pyrrolidin-3-amine
CID 51663652
(3R)-1-(4-methylphenyl)pyrrolidin-3-amine
CID 93285995
(3R)-1-phenylpyrrolidin-3-amine
CID 51663648
(3S)-1-(4-bromophenyl)pyrrolidin-3-ol
CID 67148437
1-(4-tert-butylphenyl)pyrrolidin-3-amine
CID 43314959
1-[4-(methylamino)phenyl]pyrrolidin-3-amine
CID 89019362
(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 18725667
(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-amine
CID 93285656
1-(4-bromo-3-fluorophenyl)pyrrolidin-3-amine
CID 65435771
1-pyridin-4-ylpyrrolidin-3-amine;dihydrochloride
CID 91623879
3-(3-aminopyrrolidin-1-yl)phenol
CID 57034127
1-[1-(4-bromophenyl)pyrrolidin-3-yl]propan-2-amine
CID 83981718

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-bromophenyl)pyrrolidin-3-amine?
The IUPAC name of (3S)-1-(4-bromophenyl)pyrrolidin-3-amine (CID 51663654) is (3S)-1-(4-bromophenyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(4-bromophenyl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(4-bromophenyl)pyrrolidin-3-amine is N[C@H]1CCN(c2ccc(Br)cc2)C1.
What is the InChIKey of (3S)-1-(4-bromophenyl)pyrrolidin-3-amine?
The InChIKey is LRHBHZLCNNQRDB-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13BrN2/c11-8-1-3-10(4-2-8)13-6-5-9(12)7-13/h1-4,9H,5-7,12H2/t9-/m0/s1.
What are the key properties of (3S)-1-(4-bromophenyl)pyrrolidin-3-amine?
(3S)-1-(4-bromophenyl)pyrrolidin-3-amine has a molecular weight of 241.13 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-bromophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 51663654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).