1-(3-bromophenyl)-N,5,5-trimethylpyrrolidin-3-amine

C13H19BrN2 — CID 117018258

IUPAC1-(3-bromophenyl)-N,5,5-trimethylpyrrolidin-3-amine
SMILESCNC1CN(c2cccc(Br)c2)C(C)(C)C1
InChIInChI=1S/C13H19BrN2/c1-13(2)8-11(15-3)9-16(13)12-6-4-5-10(14)7-12/h4-7,11,15H,8-9H2,1-3H3
InChIKeyDWBHLKPCXRFHPB-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.03
Rot. Bonds2

About 1-(3-bromophenyl)-N,5,5-trimethylpyrrolidin-3-amine

1-(3-bromophenyl)-N,5,5-trimethylpyrrolidin-3-amine (PubChem CID 117018258) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N,5,5-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N,5,5-trimethylpyrrolidin-3-amine
PubChem CID117018258
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name1-(3-bromophenyl)-N,5,5-trimethylpyrrolidin-3-amine
SMILESCNC1CN(c2cccc(Br)c2)C(C)(C)C1
InChIInChI=1S/C13H19BrN2/c1-13(2)8-11(15-3)9-16(13)12-6-4-5-10(14)7-12/h4-7,11,15H,8-9H2,1-3H3
InChIKeyDWBHLKPCXRFHPB-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 117018228
1-(4-bromo-3-methylphenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 117018261
1-(3-bromophenyl)-5,5-dimethylpyrrolidine-3-carbonitrile
CID 117018351
2-[1-(3-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]ethanol
CID 117018566
2-[4-(3-bromophenyl)-1,5,5-trimethylpiperazin-2-yl]ethanamine
CID 84607204
1-(3-bromo-4-methylphenyl)-N,6,6-trimethylpiperidin-3-amine
CID 117021116
[1-(3-bromophenyl)-2,2-dimethylpiperidin-4-yl]methanol
CID 117020724
1-(3-chlorophenyl)-N,2,2-trimethylpiperidin-4-amine
CID 117020209
N,5,5-trimethyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-3-amine
CID 117018247
(3R)-1-(3-bromophenyl)-3,5-dimethylpiperazine
CID 146646153
1-(3-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine
CID 117018128
1-(3-bromophenyl)azetidin-3-amine
CID 117002846

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N,5,5-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-(3-bromophenyl)-N,5,5-trimethylpyrrolidin-3-amine (CID 117018258) is 1-(3-bromophenyl)-N,5,5-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N,5,5-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(3-bromophenyl)-N,5,5-trimethylpyrrolidin-3-amine is CNC1CN(c2cccc(Br)c2)C(C)(C)C1.
What is the InChIKey of 1-(3-bromophenyl)-N,5,5-trimethylpyrrolidin-3-amine?
The InChIKey is DWBHLKPCXRFHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-13(2)8-11(15-3)9-16(13)12-6-4-5-10(14)7-12/h4-7,11,15H,8-9H2,1-3H3.
What are the key properties of 1-(3-bromophenyl)-N,5,5-trimethylpyrrolidin-3-amine?
1-(3-bromophenyl)-N,5,5-trimethylpyrrolidin-3-amine has a molecular weight of 283.21 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N,5,5-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 117018258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).