4-bromo-2-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline

C15H23BrN2 — CID 81292262

IUPAC4-bromo-2-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
SMILESCCc1cc(Br)ccc1NC(C)CC1CCCN1
InChIInChI=1S/C15H23BrN2/c1-3-12-10-13(16)6-7-15(12)18-11(2)9-14-5-4-8-17-14/h6-7,10-11,14,17-18H,3-5,8-9H2,1-2H3
InChIKeyVMVDUPWMINKQHA-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.95
Rot. Bonds5

About 4-bromo-2-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline

4-bromo-2-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline (PubChem CID 81292262) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 4-bromo-2-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline.

Molecular Properties

Compound Name4-bromo-2-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
PubChem CID81292262
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name4-bromo-2-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
SMILESCCc1cc(Br)ccc1NC(C)CC1CCCN1
InChIInChI=1S/C15H23BrN2/c1-3-12-10-13(16)6-7-15(12)18-11(2)9-14-5-4-8-17-14/h6-7,10-11,14,17-18H,3-5,8-9H2,1-2H3
InChIKeyVMVDUPWMINKQHA-UHFFFAOYSA-N
XLogP3.95
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549522
4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-2-(trifluoromethyl)aniline
CID 79541571
5-bromo-2-(1-pyrrolidin-2-ylpropan-2-ylamino)benzonitrile
CID 82707999
4-bromo-2-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79538410
3-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540116
N-[1-(azepan-2-yl)propan-2-yl]-2-bromo-4-methylaniline
CID 79552971
2-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540004
2-bromo-4-nitro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540045
N-[1-(azepan-2-yl)propan-2-yl]-4-bromo-2,3-dichloroaniline
CID 107788121
2-bromo-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 107633006
2,4,6-tribromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541024
2-[(5-bromo-2-ethylphenyl)methyl]pyrrolidine
CID 84808304

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
The IUPAC name of 4-bromo-2-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline (CID 81292262) is 4-bromo-2-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline.
What is the SMILES notation for 4-bromo-2-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
The canonical SMILES for 4-bromo-2-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline is CCc1cc(Br)ccc1NC(C)CC1CCCN1.
What is the InChIKey of 4-bromo-2-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
The InChIKey is VMVDUPWMINKQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-3-12-10-13(16)6-7-15(12)18-11(2)9-14-5-4-8-17-14/h6-7,10-11,14,17-18H,3-5,8-9H2,1-2H3.
What are the key properties of 4-bromo-2-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
4-bromo-2-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline has a molecular weight of 311.27 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline is sourced from PubChem (CID 81292262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).