[4-(4-ethylphenyl)-1-methylpyrrol-2-yl]methanamine

C14H18N2 — CID 117001477

IUPAC[4-(4-ethylphenyl)-1-methylpyrrol-2-yl]methanamine
SMILESCCc1ccc(-c2cc(CN)n(C)c2)cc1
InChIInChI=1S/C14H18N2/c1-3-11-4-6-12(7-5-11)13-8-14(9-15)16(2)10-13/h4-8,10H,3,9,15H2,1-2H3
InChIKeyKATUHORGNPOPJH-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.71
Rot. Bonds3

About [4-(4-ethylphenyl)-1-methylpyrrol-2-yl]methanamine

[4-(4-ethylphenyl)-1-methylpyrrol-2-yl]methanamine (PubChem CID 117001477) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is [4-(4-ethylphenyl)-1-methylpyrrol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(4-ethylphenyl)-1-methylpyrrol-2-yl]methanamine
PubChem CID117001477
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name[4-(4-ethylphenyl)-1-methylpyrrol-2-yl]methanamine
SMILESCCc1ccc(-c2cc(CN)n(C)c2)cc1
InChIInChI=1S/C14H18N2/c1-3-11-4-6-12(7-5-11)13-8-14(9-15)16(2)10-13/h4-8,10H,3,9,15H2,1-2H3
InChIKeyKATUHORGNPOPJH-UHFFFAOYSA-N
XLogP2.71
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-ethylphenyl)-1-methylpyrrole-2-carboxylic acid
CID 117001369
[1-methyl-4-(3-methylphenyl)pyrrol-2-yl]methanamine
CID 117001466
[4-(4-ethylphenyl)phenyl]methanamine;hydrochloride
CID 178203189
5-(aminomethyl)-N-[(4-ethylphenyl)methyl]-1-methylpyrrole-3-sulfonamide
CID 106088937
2-[4-(4-ethylphenyl)pyrazol-1-yl]ethanamine
CID 82113702
5-[4-(aminomethyl)phenyl]-1-methylpyridin-2-one
CID 170269892
2-chloro-5-(4-ethylphenyl)aniline
CID 62909757
1,4-bis[(4-ethylphenyl)methyl]benzene;ethane;1-ethyl-4-[[4-[4-[(4-ethylphenyl)methyl]phenyl]phenyl]methyl]benzene
CID 163605506
(5-ethyl-1-methylindol-3-yl)methanamine
CID 82490826
1-(4-ethylphenyl)-3,5-diphenylbenzene
CID 123998830
[4-(4-ethylphenyl)-3-methylphenyl]methanamine
CID 66481033
[4-[4-[4-(4-ethylphenyl)phenyl]phenyl]phenyl]methanethiol
CID 121337523

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethylphenyl)-1-methylpyrrol-2-yl]methanamine?
The IUPAC name of [4-(4-ethylphenyl)-1-methylpyrrol-2-yl]methanamine (CID 117001477) is [4-(4-ethylphenyl)-1-methylpyrrol-2-yl]methanamine.
What is the SMILES notation for [4-(4-ethylphenyl)-1-methylpyrrol-2-yl]methanamine?
The canonical SMILES for [4-(4-ethylphenyl)-1-methylpyrrol-2-yl]methanamine is CCc1ccc(-c2cc(CN)n(C)c2)cc1.
What is the InChIKey of [4-(4-ethylphenyl)-1-methylpyrrol-2-yl]methanamine?
The InChIKey is KATUHORGNPOPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-3-11-4-6-12(7-5-11)13-8-14(9-15)16(2)10-13/h4-8,10H,3,9,15H2,1-2H3.
What are the key properties of [4-(4-ethylphenyl)-1-methylpyrrol-2-yl]methanamine?
[4-(4-ethylphenyl)-1-methylpyrrol-2-yl]methanamine has a molecular weight of 214.31 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethylphenyl)-1-methylpyrrol-2-yl]methanamine is sourced from PubChem (CID 117001477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).