2-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]propan-1-amine

C19H28N2 — CID 66402434

IUPAC2-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]propan-1-amine
SMILESCc1cc(C)c(Cn2cccc2CNCC(C)C)c(C)c1
InChIInChI=1S/C19H28N2/c1-14(2)11-20-12-18-7-6-8-21(18)13-19-16(4)9-15(3)10-17(19)5/h6-10,14,20H,11-13H2,1-5H3
InChIKeyFQLLOFGIVITXEW-UHFFFAOYSA-N
MW284.45 g/mol
LogP4.21
Rot. Bonds6

About 2-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]propan-1-amine

2-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]propan-1-amine (PubChem CID 66402434) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 2-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]propan-1-amine
PubChem CID66402434
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name2-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]propan-1-amine
SMILESCc1cc(C)c(Cn2cccc2CNCC(C)C)c(C)c1
InChIInChI=1S/C19H28N2/c1-14(2)11-20-12-18-7-6-8-21(18)13-19-16(4)9-15(3)10-17(19)5/h6-10,14,20H,11-13H2,1-5H3
InChIKeyFQLLOFGIVITXEW-UHFFFAOYSA-N
XLogP4.21
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66402822
2-methyl-N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]propan-1-amine
CID 66400862
2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methyl]propan-1-amine
CID 66403801
N-[[1-[(2,3-difluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66402047
N-[[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66402249
N-[[1-[(3-chloro-2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 102856743
5-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]pentan-1-ol
CID 66402617
N-[[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66403593
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 104792951
(2S)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-2-ol
CID 103884133
5-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]pentanenitrile
CID 66402630
N-[[1-(difluoromethyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66402051

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]propan-1-amine (CID 66402434) is 2-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]propan-1-amine is Cc1cc(C)c(Cn2cccc2CNCC(C)C)c(C)c1.
What is the InChIKey of 2-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]propan-1-amine?
The InChIKey is FQLLOFGIVITXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-14(2)11-20-12-18-7-6-8-21(18)13-19-16(4)9-15(3)10-17(19)5/h6-10,14,20H,11-13H2,1-5H3.
What are the key properties of 2-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]propan-1-amine?
2-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]propan-1-amine has a molecular weight of 284.45 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 66402434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).