[1-(4-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine

C13H19BrN2 — CID 117018785

IUPAC[1-(4-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine
SMILESCC1(C)CC(CN)CN1c1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2/c1-13(2)7-10(8-15)9-16(13)12-5-3-11(14)4-6-12/h3-6,10H,7-9,15H2,1-2H3
InChIKeyAWEJXJDGIBYJTK-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.01
Rot. Bonds2

About [1-(4-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine

[1-(4-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine (PubChem CID 117018785) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is [1-(4-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine
PubChem CID117018785
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name[1-(4-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine
SMILESCC1(C)CC(CN)CN1c1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2/c1-13(2)7-10(8-15)9-16(13)12-5-3-11(14)4-6-12/h3-6,10H,7-9,15H2,1-2H3
InChIKeyAWEJXJDGIBYJTK-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2,2-dimethyl-1-(4-methylphenyl)piperidin-4-yl]methanamine
CID 117020616
2-[1-(3-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]ethanol
CID 117018566
2-[1-(4-chlorophenyl)-5,5-dimethylpyrrolidin-3-yl]acetonitrile
CID 117018624
4-[4-(hydroxymethyl)-2,2-dimethylpyrrolidin-1-yl]benzonitrile
CID 117018906
[1-(4-bromo-2-methylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanol
CID 117018900
2-[4-(4-bromophenyl)-5,5-dimethyl-1,4-diazepan-2-yl]acetonitrile
CID 84605130
[6,6-dimethyl-1-(3-methylphenyl)piperidin-3-yl]methanamine
CID 117021515
[1-(4-bromophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120582271
1-[1-(4-bromophenyl)pyrrolidin-3-yl]propan-2-amine
CID 83981718
[1-(2-methoxyethyl)-5,5-dimethylpyrrolidin-3-yl]methanamine
CID 117018733
1-(3-bromophenyl)-5,5-dimethylpyrrolidine-3-carbonitrile
CID 117018351
1-(4-ethylphenyl)-2,2-dimethylpiperidin-4-amine
CID 117020110

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(4-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine (CID 117018785) is [1-(4-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(4-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(4-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine is CC1(C)CC(CN)CN1c1ccc(Br)cc1.
What is the InChIKey of [1-(4-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine?
The InChIKey is AWEJXJDGIBYJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-13(2)7-10(8-15)9-16(13)12-5-3-11(14)4-6-12/h3-6,10H,7-9,15H2,1-2H3.
What are the key properties of [1-(4-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine?
[1-(4-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine has a molecular weight of 283.21 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117018785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).