1-(4-bromo-3-methylphenyl)-N,5,5-trimethylpyrrolidin-3-amine

C14H21BrN2 — CID 117018261

IUPAC1-(4-bromo-3-methylphenyl)-N,5,5-trimethylpyrrolidin-3-amine
SMILESCNC1CN(c2ccc(Br)c(C)c2)C(C)(C)C1
InChIInChI=1S/C14H21BrN2/c1-10-7-12(5-6-13(10)15)17-9-11(16-4)8-14(17,2)3/h5-7,11,16H,8-9H2,1-4H3
InChIKeyIVXBATVCSLXVMT-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.33
Rot. Bonds2

About 1-(4-bromo-3-methylphenyl)-N,5,5-trimethylpyrrolidin-3-amine

1-(4-bromo-3-methylphenyl)-N,5,5-trimethylpyrrolidin-3-amine (PubChem CID 117018261) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-N,5,5-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-N,5,5-trimethylpyrrolidin-3-amine
PubChem CID117018261
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name1-(4-bromo-3-methylphenyl)-N,5,5-trimethylpyrrolidin-3-amine
SMILESCNC1CN(c2ccc(Br)c(C)c2)C(C)(C)C1
InChIInChI=1S/C14H21BrN2/c1-10-7-12(5-6-13(10)15)17-9-11(16-4)8-14(17,2)3/h5-7,11,16H,8-9H2,1-4H3
InChIKeyIVXBATVCSLXVMT-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 117018211
1-(3-bromophenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 117018258
1-(3-bromo-4-methylphenyl)-N,6,6-trimethylpiperidin-3-amine
CID 117021116
1-(4-bromo-3-methylphenyl)-6,6-dimethylpiperidin-3-ol
CID 117020892
1-(3-chlorophenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 117018228
1-(3,4-dimethylphenyl)-N,2,2-trimethylpiperidin-4-amine
CID 117020196
1-(4-bromo-3-methylphenyl)-N-methylpiperidin-4-amine
CID 60861630
2-[4-(4-bromo-3-methylphenyl)-5,5-dimethyl-1,4-diazepan-2-yl]acetonitrile
CID 84610879
[1-(4-bromo-3-methylphenyl)-4,6,6-trimethylpiperazin-2-yl]methanamine
CID 84607272
4-amino-1-(4-bromo-3-methylphenyl)-5,5-dimethylpyrrolidin-2-one
CID 117023303
N-[[1-(4-bromo-3-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513701
1-(4-bromo-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64935073

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-N,5,5-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-N,5,5-trimethylpyrrolidin-3-amine (CID 117018261) is 1-(4-bromo-3-methylphenyl)-N,5,5-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-N,5,5-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-N,5,5-trimethylpyrrolidin-3-amine is CNC1CN(c2ccc(Br)c(C)c2)C(C)(C)C1.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-N,5,5-trimethylpyrrolidin-3-amine?
The InChIKey is IVXBATVCSLXVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-10-7-12(5-6-13(10)15)17-9-11(16-4)8-14(17,2)3/h5-7,11,16H,8-9H2,1-4H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-N,5,5-trimethylpyrrolidin-3-amine?
1-(4-bromo-3-methylphenyl)-N,5,5-trimethylpyrrolidin-3-amine has a molecular weight of 297.24 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-N,5,5-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 117018261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).