3-(diethylaminomethyl)-5-methyl-2-phenylpyrrol-1-amine

C16H23N3 — CID 143444393

IUPAC3-(diethylaminomethyl)-5-methyl-2-phenylpyrrol-1-amine
SMILESCCN(CC)Cc1cc(C)n(N)c1-c1ccccc1
InChIInChI=1S/C16H23N3/c1-4-18(5-2)12-15-11-13(3)19(17)16(15)14-9-7-6-8-10-14/h6-11H,4-5,12,17H2,1-3H3
InChIKeyQNUBQGTVUFTPNX-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.02
Rot. Bonds5

About 3-(diethylaminomethyl)-5-methyl-2-phenylpyrrol-1-amine

3-(diethylaminomethyl)-5-methyl-2-phenylpyrrol-1-amine (PubChem CID 143444393) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-(diethylaminomethyl)-5-methyl-2-phenylpyrrol-1-amine.

Molecular Properties

Compound Name3-(diethylaminomethyl)-5-methyl-2-phenylpyrrol-1-amine
PubChem CID143444393
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name3-(diethylaminomethyl)-5-methyl-2-phenylpyrrol-1-amine
SMILESCCN(CC)Cc1cc(C)n(N)c1-c1ccccc1
InChIInChI=1S/C16H23N3/c1-4-18(5-2)12-15-11-13(3)19(17)16(15)14-9-7-6-8-10-14/h6-11H,4-5,12,17H2,1-3H3
InChIKeyQNUBQGTVUFTPNX-UHFFFAOYSA-N
XLogP3.02
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-N-[3-(diethylaminomethyl)-5-methyl-2-phenylpyrrol-1-yl]quinolin-4-amine
CID 16719030
N-ethyl-N-[(3-methylnaphthalen-2-yl)methyl]ethanamine
CID 1388399
4-[4-amino-2-(diethylaminomethyl)phenyl]phenol
CID 174795462
[3-(diethylaminomethyl)-2-phenylindol-1-yl]methanol
CID 102581043
ethane;N-ethyl-N-[(5-methyl-9H-fluoren-4-yl)methyl]ethanamine;N-ethyl-N-[(5-phenyl-9H-fluoren-4-yl)methyl]ethanamine
CID 167662682
N-ethyl-2-methoxy-N-[(5-methyl-2-phenylphenyl)methyl]ethanamine
CID 70967427
N-benzyl-N-ethylethanamine;methanethiol
CID 142975470
N-benzyl-N-ethylethanamine;ethene
CID 174895763
3-(diethylaminomethyl)-2-fluoroaniline
CID 107347165
2-[2-(diethylaminomethyl)phenyl]ethanethioamide
CID 82135813
N-[(2,3-dimethylphenyl)methyl]-N-ethylethanamine
CID 12587583
cadmium(2+);bis(2-(diethylaminomethyl)benzeneselenolate)
CID 102048772

Frequently Asked Questions

What is the IUPAC name of 3-(diethylaminomethyl)-5-methyl-2-phenylpyrrol-1-amine?
The IUPAC name of 3-(diethylaminomethyl)-5-methyl-2-phenylpyrrol-1-amine (CID 143444393) is 3-(diethylaminomethyl)-5-methyl-2-phenylpyrrol-1-amine.
What is the SMILES notation for 3-(diethylaminomethyl)-5-methyl-2-phenylpyrrol-1-amine?
The canonical SMILES for 3-(diethylaminomethyl)-5-methyl-2-phenylpyrrol-1-amine is CCN(CC)Cc1cc(C)n(N)c1-c1ccccc1.
What is the InChIKey of 3-(diethylaminomethyl)-5-methyl-2-phenylpyrrol-1-amine?
The InChIKey is QNUBQGTVUFTPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-18(5-2)12-15-11-13(3)19(17)16(15)14-9-7-6-8-10-14/h6-11H,4-5,12,17H2,1-3H3.
What are the key properties of 3-(diethylaminomethyl)-5-methyl-2-phenylpyrrol-1-amine?
3-(diethylaminomethyl)-5-methyl-2-phenylpyrrol-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylaminomethyl)-5-methyl-2-phenylpyrrol-1-amine is sourced from PubChem (CID 143444393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).