1-[1-(4-methylphenyl)pyrrol-2-yl]ethane-1,2-diamine

C13H17N3 — CID 170894777

IUPAC1-[1-(4-methylphenyl)pyrrol-2-yl]ethane-1,2-diamine
SMILESCc1ccc(-n2cccc2C(N)CN)cc1
InChIInChI=1S/C13H17N3/c1-10-4-6-11(7-5-10)16-8-2-3-13(16)12(15)9-14/h2-8,12H,9,14-15H2,1H3
InChIKeyIVNHYMVEHNBCNL-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.74
Rot. Bonds3

About 1-[1-(4-methylphenyl)pyrrol-2-yl]ethane-1,2-diamine

1-[1-(4-methylphenyl)pyrrol-2-yl]ethane-1,2-diamine (PubChem CID 170894777) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)pyrrol-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)pyrrol-2-yl]ethane-1,2-diamine
PubChem CID170894777
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-[1-(4-methylphenyl)pyrrol-2-yl]ethane-1,2-diamine
SMILESCc1ccc(-n2cccc2C(N)CN)cc1
InChIInChI=1S/C13H17N3/c1-10-4-6-11(7-5-10)16-8-2-3-13(16)12(15)9-14/h2-8,12H,9,14-15H2,1H3
InChIKeyIVNHYMVEHNBCNL-UHFFFAOYSA-N
XLogP1.74
TPSA56.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-2-propan-2-ylpyrrole
CID 67473616
1-[1-(2-chlorophenyl)pyrrol-2-yl]ethane-1,2-diamine
CID 170894877
2-[1-(4-methylphenyl)pyrrol-2-yl]ethanamine
CID 82282287
N-[[1-(4-methylphenyl)pyrrol-2-yl]methyl]propan-2-amine
CID 50850380
1-(4-methylphenyl)pyridin-2-one
CID 10821386
1-(4-methylphenyl)pyrrole-2-carbonitrile
CID 2797715
2-(4-chlorophenyl)-1-(4-methylphenyl)pyrrole
CID 122399825
benzene;bis(1,4-xylene)
CID 159472747
[4-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine;hydrochloride
CID 139034447
1-(4-methylphenyl)-3-propanoylpyridin-2-one
CID 123475879
3-fluoropropane-1,2-diamine;toluene
CID 143077433
1-(4-methylphenyl)pyrimidine-2-thione
CID 86108408

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)pyrrol-2-yl]ethane-1,2-diamine?
The IUPAC name of 1-[1-(4-methylphenyl)pyrrol-2-yl]ethane-1,2-diamine (CID 170894777) is 1-[1-(4-methylphenyl)pyrrol-2-yl]ethane-1,2-diamine.
What is the SMILES notation for 1-[1-(4-methylphenyl)pyrrol-2-yl]ethane-1,2-diamine?
The canonical SMILES for 1-[1-(4-methylphenyl)pyrrol-2-yl]ethane-1,2-diamine is Cc1ccc(-n2cccc2C(N)CN)cc1.
What is the InChIKey of 1-[1-(4-methylphenyl)pyrrol-2-yl]ethane-1,2-diamine?
The InChIKey is IVNHYMVEHNBCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-4-6-11(7-5-10)16-8-2-3-13(16)12(15)9-14/h2-8,12H,9,14-15H2,1H3.
What are the key properties of 1-[1-(4-methylphenyl)pyrrol-2-yl]ethane-1,2-diamine?
1-[1-(4-methylphenyl)pyrrol-2-yl]ethane-1,2-diamine has a molecular weight of 215.30 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)pyrrol-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 170894777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).