3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-1-phenylbutan-1-amine

C17H24N2 — CID 66398321

IUPAC3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-1-phenylbutan-1-amine
SMILESCC(C)CC(NCc1ccn(C)c1)c1ccccc1
InChIInChI=1S/C17H24N2/c1-14(2)11-17(16-7-5-4-6-8-16)18-12-15-9-10-19(3)13-15/h4-10,13-14,17-18H,11-12H2,1-3H3
InChIKeyXJHPYHARNRUTII-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.90
Rot. Bonds6

About 3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-1-phenylbutan-1-amine

3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-1-phenylbutan-1-amine (PubChem CID 66398321) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-1-phenylbutan-1-amine
PubChem CID66398321
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-1-phenylbutan-1-amine
SMILESCC(C)CC(NCc1ccn(C)c1)c1ccccc1
InChIInChI=1S/C17H24N2/c1-14(2)11-17(16-7-5-4-6-8-16)18-12-15-9-10-19(3)13-15/h4-10,13-14,17-18H,11-12H2,1-3H3
InChIKeyXJHPYHARNRUTII-UHFFFAOYSA-N
XLogP3.90
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[(4-methylphenyl)methyl]-1-phenylbutan-1-amine
CID 43080193
N-[(1-methylpyrrol-3-yl)methyl]-1-phenylpropan-2-amine
CID 66398787
4-methyl-2-[(1-methylpyrrol-3-yl)methylamino]pentan-1-ol
CID 66400659
(1R,3R)-1-(benzylamino)-5-methyl-1-phenylhexan-3-ol
CID 11109270
4-[[(3-methyl-1-phenylbutyl)amino]methyl]benzene-1,2-diol
CID 43224537
(2S)-2-phenyl-2-[(1-propylpyrrol-3-yl)methylamino]ethanol
CID 103527298
N-[(4-bromo-3-fluorophenyl)methyl]-3-methyl-1-phenylbutan-1-amine
CID 81431276
1-(4-fluorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 66399983
1-(4-bromophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 66398996
2-[[(3-methyl-1-phenylbutyl)amino]methyl]thiophen-3-amine
CID 66385749
1-[(3-methyl-1-phenylbutyl)amino]propan-2-ol
CID 43499366
3-methyl-N-(3-methyl-1-phenylbutyl)-2-propan-2-ylbutan-1-amine
CID 102904029

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-1-phenylbutan-1-amine?
The IUPAC name of 3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-1-phenylbutan-1-amine (CID 66398321) is 3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-1-phenylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-1-phenylbutan-1-amine?
The canonical SMILES for 3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-1-phenylbutan-1-amine is CC(C)CC(NCc1ccn(C)c1)c1ccccc1.
What is the InChIKey of 3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-1-phenylbutan-1-amine?
The InChIKey is XJHPYHARNRUTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-14(2)11-17(16-7-5-4-6-8-16)18-12-15-9-10-19(3)13-15/h4-10,13-14,17-18H,11-12H2,1-3H3.
What are the key properties of 3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-1-phenylbutan-1-amine?
3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-1-phenylbutan-1-amine has a molecular weight of 256.39 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 66398321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).