5-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylaniline

C14H17BrN2 — CID 66410961

IUPAC5-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylaniline
SMILESCCn1cccc1CNc1cc(Br)ccc1C
InChIInChI=1S/C14H17BrN2/c1-3-17-8-4-5-13(17)10-16-14-9-12(15)7-6-11(14)2/h4-9,16H,3,10H2,1-2H3
InChIKeyJHGYEZXXZNVHFE-UHFFFAOYSA-N
MW293.21 g/mol
LogP4.19
Rot. Bonds4

About 5-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylaniline

5-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylaniline (PubChem CID 66410961) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 5-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylaniline.

Molecular Properties

Compound Name5-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylaniline
PubChem CID66410961
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name5-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylaniline
SMILESCCn1cccc1CNc1cc(Br)ccc1C
InChIInChI=1S/C14H17BrN2/c1-3-17-8-4-5-13(17)10-16-14-9-12(15)7-6-11(14)2/h4-9,16H,3,10H2,1-2H3
InChIKeyJHGYEZXXZNVHFE-UHFFFAOYSA-N
XLogP4.19
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-chloro-N-[(1-ethylpyrrol-2-yl)methyl]aniline
CID 66445591
N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline
CID 66480538
3-[(1-ethylpyrrol-2-yl)methylamino]-N,4-dimethylbenzamide
CID 66412324
N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoro-2-methylaniline
CID 66413254
N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoro-4-methylaniline
CID 66412091
4-bromo-2-ethyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 81291640
N-[(1-ethylpyrrol-2-yl)methyl]-2-iodoaniline
CID 66413670
N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoroaniline
CID 66411289
N-[(1-ethylpyrrol-2-yl)methyl]-3-fluoro-2-methylaniline
CID 66444011
N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-4-propan-2-yloxyaniline
CID 66411969
4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzenesulfonamide
CID 66412336
N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline
CID 66411865

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylaniline?
The IUPAC name of 5-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylaniline (CID 66410961) is 5-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylaniline.
What is the SMILES notation for 5-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylaniline?
The canonical SMILES for 5-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylaniline is CCn1cccc1CNc1cc(Br)ccc1C.
What is the InChIKey of 5-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylaniline?
The InChIKey is JHGYEZXXZNVHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c1-3-17-8-4-5-13(17)10-16-14-9-12(15)7-6-11(14)2/h4-9,16H,3,10H2,1-2H3.
What are the key properties of 5-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylaniline?
5-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylaniline has a molecular weight of 293.21 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylaniline is sourced from PubChem (CID 66410961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).