2-(diethylaminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]aniline

C17H25N3 — CID 66399592

IUPAC2-(diethylaminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]aniline
SMILESCCN(CC)Cc1ccccc1NCc1ccn(C)c1
InChIInChI=1S/C17H25N3/c1-4-20(5-2)14-16-8-6-7-9-17(16)18-12-15-10-11-19(3)13-15/h6-11,13,18H,4-5,12,14H2,1-3H3
InChIKeyNLODVKMWVJEYSU-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.48
Rot. Bonds7

About 2-(diethylaminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]aniline

2-(diethylaminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]aniline (PubChem CID 66399592) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-(diethylaminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]aniline.

Molecular Properties

Compound Name2-(diethylaminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]aniline
PubChem CID66399592
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-(diethylaminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]aniline
SMILESCCN(CC)Cc1ccccc1NCc1ccn(C)c1
InChIInChI=1S/C17H25N3/c1-4-20(5-2)14-16-8-6-7-9-17(16)18-12-15-10-11-19(3)13-15/h6-11,13,18H,4-5,12,14H2,1-3H3
InChIKeyNLODVKMWVJEYSU-UHFFFAOYSA-N
XLogP3.48
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylaminomethyl)-N-(thiophen-3-ylmethyl)aniline
CID 43729313
3-(diethylaminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]aniline
CID 66398542
3-[[2-(diethylaminomethyl)anilino]methyl]phenol
CID 43729325
N-[(1-methylpyrrol-3-yl)methyl]-2-methylsulfanylaniline
CID 66400207
N-[(1-methylpyrrol-3-yl)methyl]aniline
CID 66399550
2-(diethylaminomethyl)-N-methylaniline
CID 23009383
2-(diethylaminomethyl)-N-(2-methylpropyl)aniline
CID 43729309
N-[(1-methylpyrrol-3-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 66398320
2-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine
CID 79041862
[5-[[2-(diethylaminomethyl)anilino]methyl]furan-2-yl]methanol
CID 64580557
2-(diethylaminomethyl)-N-heptylaniline
CID 43729328
N'-tert-butyl-N-[2-(diethylaminomethyl)phenyl]ethane-1,2-diamine
CID 107445154

Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]aniline?
The IUPAC name of 2-(diethylaminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]aniline (CID 66399592) is 2-(diethylaminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]aniline.
What is the SMILES notation for 2-(diethylaminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]aniline?
The canonical SMILES for 2-(diethylaminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]aniline is CCN(CC)Cc1ccccc1NCc1ccn(C)c1.
What is the InChIKey of 2-(diethylaminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]aniline?
The InChIKey is NLODVKMWVJEYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-20(5-2)14-16-8-6-7-9-17(16)18-12-15-10-11-19(3)13-15/h6-11,13,18H,4-5,12,14H2,1-3H3.
What are the key properties of 2-(diethylaminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]aniline?
2-(diethylaminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]aniline has a molecular weight of 271.41 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]aniline is sourced from PubChem (CID 66399592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).