[1-(3-bromophenyl)-2-methylpyrrolidin-3-yl]methanamine

C12H17BrN2 — CID 117022217

IUPAC[1-(3-bromophenyl)-2-methylpyrrolidin-3-yl]methanamine
SMILESCC1C(CN)CCN1c1cccc(Br)c1
InChIInChI=1S/C12H17BrN2/c1-9-10(8-14)5-6-15(9)12-4-2-3-11(13)7-12/h2-4,7,9-10H,5-6,8,14H2,1H3
InChIKeyHOIAHCVZLBJABL-UHFFFAOYSA-N
MW269.19 g/mol
LogP2.62
Rot. Bonds2

About [1-(3-bromophenyl)-2-methylpyrrolidin-3-yl]methanamine

[1-(3-bromophenyl)-2-methylpyrrolidin-3-yl]methanamine (PubChem CID 117022217) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is [1-(3-bromophenyl)-2-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(3-bromophenyl)-2-methylpyrrolidin-3-yl]methanamine
PubChem CID117022217
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name[1-(3-bromophenyl)-2-methylpyrrolidin-3-yl]methanamine
SMILESCC1C(CN)CCN1c1cccc(Br)c1
InChIInChI=1S/C12H17BrN2/c1-9-10(8-14)5-6-15(9)12-4-2-3-11(13)7-12/h2-4,7,9-10H,5-6,8,14H2,1H3
InChIKeyHOIAHCVZLBJABL-UHFFFAOYSA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R,3R)-2-methyl-1-(3-methylphenyl)azepan-3-yl]methanamine
CID 96598379
[(2R,3R)-2-methyl-1-phenylpiperidin-3-yl]methanamine
CID 96618250
[(2R)-4-(3-bromophenyl)morpholin-2-yl]methanamine
CID 42079022
[1-(2,5-dimethoxyphenyl)-2-methylpyrrolidin-3-yl]methanamine
CID 117022204
[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81009868
1-(3-bromophenyl)-2-methyl-4-(oxetan-3-yl)piperazine
CID 170087545
(3R)-1-(3-bromophenyl)-3,5-dimethylpiperazine
CID 146646153
1-(3-bromophenyl)pyrrolidine
CID 7016459
1-(3-bromophenyl)azetidin-3-amine
CID 117002846
1-(3-bromophenyl)-4-tert-butylpiperazine
CID 68819490
1-(3-bromophenyl)aziridine-2-carbonitrile
CID 117009852
[2-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanol
CID 117021973

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromophenyl)-2-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(3-bromophenyl)-2-methylpyrrolidin-3-yl]methanamine (CID 117022217) is [1-(3-bromophenyl)-2-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(3-bromophenyl)-2-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(3-bromophenyl)-2-methylpyrrolidin-3-yl]methanamine is CC1C(CN)CCN1c1cccc(Br)c1.
What is the InChIKey of [1-(3-bromophenyl)-2-methylpyrrolidin-3-yl]methanamine?
The InChIKey is HOIAHCVZLBJABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-9-10(8-14)5-6-15(9)12-4-2-3-11(13)7-12/h2-4,7,9-10H,5-6,8,14H2,1H3.
What are the key properties of [1-(3-bromophenyl)-2-methylpyrrolidin-3-yl]methanamine?
[1-(3-bromophenyl)-2-methylpyrrolidin-3-yl]methanamine has a molecular weight of 269.19 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromophenyl)-2-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117022217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).