[1-methyl-4-(3-methylphenyl)pyrrol-2-yl]methanamine

C13H16N2 — CID 117001466

IUPAC[1-methyl-4-(3-methylphenyl)pyrrol-2-yl]methanamine
SMILESCc1cccc(-c2cc(CN)n(C)c2)c1
InChIInChI=1S/C13H16N2/c1-10-4-3-5-11(6-10)12-7-13(8-14)15(2)9-12/h3-7,9H,8,14H2,1-2H3
InChIKeyIXJHERHLZAZGPU-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.46
Rot. Bonds2

About [1-methyl-4-(3-methylphenyl)pyrrol-2-yl]methanamine

[1-methyl-4-(3-methylphenyl)pyrrol-2-yl]methanamine (PubChem CID 117001466) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is [1-methyl-4-(3-methylphenyl)pyrrol-2-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-4-(3-methylphenyl)pyrrol-2-yl]methanamine
PubChem CID117001466
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name[1-methyl-4-(3-methylphenyl)pyrrol-2-yl]methanamine
SMILESCc1cccc(-c2cc(CN)n(C)c2)c1
InChIInChI=1S/C13H16N2/c1-10-4-3-5-11(6-10)12-7-13(8-14)15(2)9-12/h3-7,9H,8,14H2,1-2H3
InChIKeyIXJHERHLZAZGPU-UHFFFAOYSA-N
XLogP2.46
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
4-bromo-1-methyl-2-(3-methylphenyl)imidazole
CID 30032990
[5-(3-methylphenyl)furan-2-yl]methanamine
CID 28804201
methanamine;1-methyl-3-phenylbenzene
CID 145414985
[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]methanamine
CID 112593445
[2-bromo-5-(3-methylphenyl)phenyl]methanamine
CID 115051058
1-(3-aminopropyl)-5-(3-methylphenyl)pyridin-2-one
CID 82117733
1-ethyl-3-(3-methylphenyl)pyrazol-4-amine
CID 83216683
ethane;1-methyl-3-phenylbenzene
CID 142040878
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene
CID 140856009
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503

Frequently Asked Questions

What is the IUPAC name of [1-methyl-4-(3-methylphenyl)pyrrol-2-yl]methanamine?
The IUPAC name of [1-methyl-4-(3-methylphenyl)pyrrol-2-yl]methanamine (CID 117001466) is [1-methyl-4-(3-methylphenyl)pyrrol-2-yl]methanamine.
What is the SMILES notation for [1-methyl-4-(3-methylphenyl)pyrrol-2-yl]methanamine?
The canonical SMILES for [1-methyl-4-(3-methylphenyl)pyrrol-2-yl]methanamine is Cc1cccc(-c2cc(CN)n(C)c2)c1.
What is the InChIKey of [1-methyl-4-(3-methylphenyl)pyrrol-2-yl]methanamine?
The InChIKey is IXJHERHLZAZGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-10-4-3-5-11(6-10)12-7-13(8-14)15(2)9-12/h3-7,9H,8,14H2,1-2H3.
What are the key properties of [1-methyl-4-(3-methylphenyl)pyrrol-2-yl]methanamine?
[1-methyl-4-(3-methylphenyl)pyrrol-2-yl]methanamine has a molecular weight of 200.28 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-4-(3-methylphenyl)pyrrol-2-yl]methanamine is sourced from PubChem (CID 117001466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).