2-methyl-N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]propan-2-amine

C17H24N2 — CID 66401243

IUPAC2-methyl-N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cccn1CCc1ccccc1
InChIInChI=1S/C17H24N2/c1-17(2,3)18-14-16-10-7-12-19(16)13-11-15-8-5-4-6-9-15/h4-10,12,18H,11,13-14H2,1-3H3
InChIKeySKFAYSZNVCVGHY-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.62
Rot. Bonds5

About 2-methyl-N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]propan-2-amine

2-methyl-N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]propan-2-amine (PubChem CID 66401243) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-methyl-N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]propan-2-amine
PubChem CID66401243
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2-methyl-N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cccn1CCc1ccccc1
InChIInChI=1S/C17H24N2/c1-17(2,3)18-14-16-10-7-12-19(16)13-11-15-8-5-4-6-9-15/h4-10,12,18H,11,13-14H2,1-3H3
InChIKeySKFAYSZNVCVGHY-UHFFFAOYSA-N
XLogP3.62
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[1-(4-phenylbutyl)pyrrol-2-yl]methyl]propan-2-amine
CID 114334303
N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]ethanamine
CID 66402346
2-methyl-N-[(1-pentylpyrrol-2-yl)methyl]propan-2-amine
CID 66401427
2-methyl-N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine
CID 66401049
N-[[1-(3-methoxy-3-methylbutyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 103034968
3-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide
CID 66401250
2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221649
[1-(2-phenylethyl)pyrrol-2-yl]methanamine
CID 66408175
5-[2-[(tert-butylamino)methyl]pyrrol-1-yl]pentanenitrile
CID 66402231
N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 66401246
2-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 66412851
5-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-2,2-dimethylpentanenitrile
CID 66403383

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]propan-2-amine (CID 66401243) is 2-methyl-N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]propan-2-amine is CC(C)(C)NCc1cccn1CCc1ccccc1.
What is the InChIKey of 2-methyl-N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]propan-2-amine?
The InChIKey is SKFAYSZNVCVGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-17(2,3)18-14-16-10-7-12-19(16)13-11-15-8-5-4-6-9-15/h4-10,12,18H,11,13-14H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]propan-2-amine has a molecular weight of 256.39 g/mol, XLogP of 3.62, 5 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-phenylethyl)pyrrol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 66401243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).