(3S)-3-(4-bromophenyl)-3-methyl-1,2-dihydropyrrol-5-amine

C11H13BrN2 — CID 141332929

IUPAC(3S)-3-(4-bromophenyl)-3-methyl-1,2-dihydropyrrol-5-amine
SMILESC[C@@]1(c2ccc(Br)cc2)C=C(N)NC1
InChIInChI=1S/C11H13BrN2/c1-11(6-10(13)14-7-11)8-2-4-9(12)5-3-8/h2-6,14H,7,13H2,1H3/t11-/m1/s1
InChIKeyDOWIMEXKUJVHEF-LLVKDONJSA-N
MW253.14 g/mol
LogP2.11
Rot. Bonds1

About (3S)-3-(4-bromophenyl)-3-methyl-1,2-dihydropyrrol-5-amine

(3S)-3-(4-bromophenyl)-3-methyl-1,2-dihydropyrrol-5-amine (PubChem CID 141332929) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is (3S)-3-(4-bromophenyl)-3-methyl-1,2-dihydropyrrol-5-amine.

Molecular Properties

Compound Name(3S)-3-(4-bromophenyl)-3-methyl-1,2-dihydropyrrol-5-amine
PubChem CID141332929
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC Name(3S)-3-(4-bromophenyl)-3-methyl-1,2-dihydropyrrol-5-amine
SMILESC[C@@]1(c2ccc(Br)cc2)C=C(N)NC1
InChIInChI=1S/C11H13BrN2/c1-11(6-10(13)14-7-11)8-2-4-9(12)5-3-8/h2-6,14H,7,13H2,1H3/t11-/m1/s1
InChIKeyDOWIMEXKUJVHEF-LLVKDONJSA-N
XLogP2.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-(4-bromophenyl)-2-methylcyclopropan-1-amine
CID 94419650
5-(4-bromophenyl)-5-methylpiperazine-2,3-dione
CID 116856094
5-(4-bromophenyl)-1,5-dimethyl-4H-imidazol-2-amine
CID 79509925
3-(3-bromophenyl)-3-[4-(difluoromethoxy)-3-methylphenyl]-1,2-dihydropyrrol-5-amine
CID 141243091
6-(4-bromophenyl)-6-methylmorpholin-3-one
CID 117159225
(3S)-3-(4-chloro-2-fluoro-5-methylphenyl)-3-methyl-1,2-dihydropyrrol-5-amine
CID 141333018
3-(4-bromophenyl)-2,2-dimethylcyclobutan-1-amine
CID 81414942
2-(4-bromophenyl)-2-methyl-1,3-thiazolidin-4-one
CID 536046
(3R)-3-(4-bromophenyl)pyrrolidin-3-amine
CID 125492002
(3S)-2'-bromo-7'-methoxyspiro[1,2-dihydropyrrole-3,9'-xanthene]-5-amine
CID 141263164
3-(4-bromophenyl)azetidin-3-ol;hydrochloride
CID 122164542
3-methyl-3-(2-phenylethyl)-1,2-dihydropyrrol-5-amine
CID 141332969

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-bromophenyl)-3-methyl-1,2-dihydropyrrol-5-amine?
The IUPAC name of (3S)-3-(4-bromophenyl)-3-methyl-1,2-dihydropyrrol-5-amine (CID 141332929) is (3S)-3-(4-bromophenyl)-3-methyl-1,2-dihydropyrrol-5-amine.
What is the SMILES notation for (3S)-3-(4-bromophenyl)-3-methyl-1,2-dihydropyrrol-5-amine?
The canonical SMILES for (3S)-3-(4-bromophenyl)-3-methyl-1,2-dihydropyrrol-5-amine is C[C@@]1(c2ccc(Br)cc2)C=C(N)NC1.
What is the InChIKey of (3S)-3-(4-bromophenyl)-3-methyl-1,2-dihydropyrrol-5-amine?
The InChIKey is DOWIMEXKUJVHEF-LLVKDONJSA-N. The full InChI is InChI=1S/C11H13BrN2/c1-11(6-10(13)14-7-11)8-2-4-9(12)5-3-8/h2-6,14H,7,13H2,1H3/t11-/m1/s1.
What are the key properties of (3S)-3-(4-bromophenyl)-3-methyl-1,2-dihydropyrrol-5-amine?
(3S)-3-(4-bromophenyl)-3-methyl-1,2-dihydropyrrol-5-amine has a molecular weight of 253.14 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-bromophenyl)-3-methyl-1,2-dihydropyrrol-5-amine is sourced from PubChem (CID 141332929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).