N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2,5-dimethylaniline

C17H24N2 — CID 79604328

IUPACN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2,5-dimethylaniline
SMILESCCn1c(C)cc(CNc2cc(C)ccc2C)c1C
InChIInChI=1S/C17H24N2/c1-6-19-14(4)10-16(15(19)5)11-18-17-9-12(2)7-8-13(17)3/h7-10,18H,6,11H2,1-5H3
InChIKeyVSYPQXSGBDGQRN-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.35
Rot. Bonds4

About N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2,5-dimethylaniline

N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2,5-dimethylaniline (PubChem CID 79604328) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2,5-dimethylaniline.

Molecular Properties

Compound NameN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2,5-dimethylaniline
PubChem CID79604328
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC NameN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2,5-dimethylaniline
SMILESCCn1c(C)cc(CNc2cc(C)ccc2C)c1C
InChIInChI=1S/C17H24N2/c1-6-19-14(4)10-16(15(19)5)11-18-17-9-12(2)7-8-13(17)3/h7-10,18H,6,11H2,1-5H3
InChIKeyVSYPQXSGBDGQRN-UHFFFAOYSA-N
XLogP4.35
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methoxy-5-methylaniline
CID 79604739
2-ethoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylaniline
CID 79612321
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-fluoroaniline
CID 79604988
4-bromo-2-ethyl-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]aniline
CID 81292419
4-bromo-2,3-dichloro-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]aniline
CID 107788106
3-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-methylbenzamide
CID 79611745
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-propan-2-ylaniline
CID 79605539
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-(trifluoromethyl)aniline
CID 79611429
N-[(2-aminophenyl)methyl]-2,5-dimethylaniline
CID 66387234
4-[(dimethylamino)methyl]-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]aniline
CID 79612301
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-3-propan-2-ylaniline
CID 79605545
4-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]benzene-1,2-dicarbonitrile
CID 107788614

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2,5-dimethylaniline?
The IUPAC name of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2,5-dimethylaniline (CID 79604328) is N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2,5-dimethylaniline.
What is the SMILES notation for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2,5-dimethylaniline?
The canonical SMILES for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2,5-dimethylaniline is CCn1c(C)cc(CNc2cc(C)ccc2C)c1C.
What is the InChIKey of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2,5-dimethylaniline?
The InChIKey is VSYPQXSGBDGQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-6-19-14(4)10-16(15(19)5)11-18-17-9-12(2)7-8-13(17)3/h7-10,18H,6,11H2,1-5H3.
What are the key properties of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2,5-dimethylaniline?
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2,5-dimethylaniline has a molecular weight of 256.39 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2,5-dimethylaniline is sourced from PubChem (CID 79604328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).