2-methyl-N-[1-[4-(1-methylpyrrol-3-yl)phenyl]ethyl]propan-2-amine

C17H24N2 — CID 126654315

IUPAC2-methyl-N-[1-[4-(1-methylpyrrol-3-yl)phenyl]ethyl]propan-2-amine
SMILESCC(NC(C)(C)C)c1ccc(-c2ccn(C)c2)cc1
InChIInChI=1S/C17H24N2/c1-13(18-17(2,3)4)14-6-8-15(9-7-14)16-10-11-19(5)12-16/h6-13,18H,1-5H3
InChIKeyXUXJMMFGXGMXNR-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.14
Rot. Bonds3

About 2-methyl-N-[1-[4-(1-methylpyrrol-3-yl)phenyl]ethyl]propan-2-amine

2-methyl-N-[1-[4-(1-methylpyrrol-3-yl)phenyl]ethyl]propan-2-amine (PubChem CID 126654315) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-methyl-N-[1-[4-(1-methylpyrrol-3-yl)phenyl]ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[1-[4-(1-methylpyrrol-3-yl)phenyl]ethyl]propan-2-amine
PubChem CID126654315
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2-methyl-N-[1-[4-(1-methylpyrrol-3-yl)phenyl]ethyl]propan-2-amine
SMILESCC(NC(C)(C)C)c1ccc(-c2ccn(C)c2)cc1
InChIInChI=1S/C17H24N2/c1-13(18-17(2,3)4)14-6-8-15(9-7-14)16-10-11-19(5)12-16/h6-13,18H,1-5H3
InChIKeyXUXJMMFGXGMXNR-UHFFFAOYSA-N
XLogP4.14
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(1-Methylpyrrolidin-2-yl)pyridine
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3-(Pyrrolidin-2-yl)pyridine
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Triprolidine Hydrochloride Anhydrous
CID 5702129
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1-Methyl-1H-indole-3-ethylamine
CID 23492
Nicotine hydrochloride
CID 5284430
N,N-Dipropyltryptamine
CID 6091
(R)-Nornicotine
CID 93047
(2-Phenylethyl)(3-pyridinylmethyl)amine hydrochloride
CID 201618

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[4-(1-methylpyrrol-3-yl)phenyl]ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[1-[4-(1-methylpyrrol-3-yl)phenyl]ethyl]propan-2-amine (CID 126654315) is 2-methyl-N-[1-[4-(1-methylpyrrol-3-yl)phenyl]ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[1-[4-(1-methylpyrrol-3-yl)phenyl]ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[1-[4-(1-methylpyrrol-3-yl)phenyl]ethyl]propan-2-amine is CC(NC(C)(C)C)c1ccc(-c2ccn(C)c2)cc1.
What is the InChIKey of 2-methyl-N-[1-[4-(1-methylpyrrol-3-yl)phenyl]ethyl]propan-2-amine?
The InChIKey is XUXJMMFGXGMXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-13(18-17(2,3)4)14-6-8-15(9-7-14)16-10-11-19(5)12-16/h6-13,18H,1-5H3.
What are the key properties of 2-methyl-N-[1-[4-(1-methylpyrrol-3-yl)phenyl]ethyl]propan-2-amine?
2-methyl-N-[1-[4-(1-methylpyrrol-3-yl)phenyl]ethyl]propan-2-amine has a molecular weight of 256.39 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[4-(1-methylpyrrol-3-yl)phenyl]ethyl]propan-2-amine is sourced from PubChem (CID 126654315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).