N-methyl-1-[2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine

C17H24N2 — CID 116828297

IUPACN-methyl-1-[2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine
SMILESCNCc1cc(-c2cc(C(C)C)ccc2C)[nH]c1C
InChIInChI=1S/C17H24N2/c1-11(2)14-7-6-12(3)16(8-14)17-9-15(10-18-5)13(4)19-17/h6-9,11,18-19H,10H2,1-5H3
InChIKeyLWCHSMQRMTWYJV-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.14
Rot. Bonds4

About N-methyl-1-[2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine

N-methyl-1-[2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine (PubChem CID 116828297) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-methyl-1-[2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine
PubChem CID116828297
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC NameN-methyl-1-[2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine
SMILESCNCc1cc(-c2cc(C(C)C)ccc2C)[nH]c1C
InChIInChI=1S/C17H24N2/c1-11(2)14-7-6-12(3)16(8-14)17-9-15(10-18-5)13(4)19-17/h6-9,11,18-19H,10H2,1-5H3
InChIKeyLWCHSMQRMTWYJV-UHFFFAOYSA-N
XLogP4.14
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine (CID 116828297) is N-methyl-1-[2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine is CNCc1cc(-c2cc(C(C)C)ccc2C)[nH]c1C.
What is the InChIKey of N-methyl-1-[2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine?
The InChIKey is LWCHSMQRMTWYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-11(2)14-7-6-12(3)16(8-14)17-9-15(10-18-5)13(4)19-17/h6-9,11,18-19H,10H2,1-5H3.
What are the key properties of N-methyl-1-[2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine?
N-methyl-1-[2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine has a molecular weight of 256.39 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine is sourced from PubChem (CID 116828297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).