N-[[1-(4-methylphenyl)pyrrol-2-yl]methyl]propan-2-amine

C15H20N2 — CID 50850380

IUPACN-[[1-(4-methylphenyl)pyrrol-2-yl]methyl]propan-2-amine
SMILESCc1ccc(-n2cccc2CNC(C)C)cc1
InChIInChI=1S/C15H20N2/c1-12(2)16-11-15-5-4-10-17(15)14-8-6-13(3)7-9-14/h4-10,12,16H,11H2,1-3H3
InChIKeyNLUAYRVXBGZUOP-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.28
Rot. Bonds4

About N-[[1-(4-methylphenyl)pyrrol-2-yl]methyl]propan-2-amine

N-[[1-(4-methylphenyl)pyrrol-2-yl]methyl]propan-2-amine (PubChem CID 50850380) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[[1-(4-methylphenyl)pyrrol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(4-methylphenyl)pyrrol-2-yl]methyl]propan-2-amine
PubChem CID50850380
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC NameN-[[1-(4-methylphenyl)pyrrol-2-yl]methyl]propan-2-amine
SMILESCc1ccc(-n2cccc2CNC(C)C)cc1
InChIInChI=1S/C15H20N2/c1-12(2)16-11-15-5-4-10-17(15)14-8-6-13(3)7-9-14/h4-10,12,16H,11H2,1-3H3
InChIKeyNLUAYRVXBGZUOP-UHFFFAOYSA-N
XLogP3.28
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylphenyl)pyrrol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(4-methylphenyl)pyrrol-2-yl]methyl]propan-2-amine (CID 50850380) is N-[[1-(4-methylphenyl)pyrrol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(4-methylphenyl)pyrrol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(4-methylphenyl)pyrrol-2-yl]methyl]propan-2-amine is Cc1ccc(-n2cccc2CNC(C)C)cc1.
What is the InChIKey of N-[[1-(4-methylphenyl)pyrrol-2-yl]methyl]propan-2-amine?
The InChIKey is NLUAYRVXBGZUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-12(2)16-11-15-5-4-10-17(15)14-8-6-13(3)7-9-14/h4-10,12,16H,11H2,1-3H3.
What are the key properties of N-[[1-(4-methylphenyl)pyrrol-2-yl]methyl]propan-2-amine?
N-[[1-(4-methylphenyl)pyrrol-2-yl]methyl]propan-2-amine has a molecular weight of 228.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylphenyl)pyrrol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 50850380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).