[4-(3,4-dimethoxyphenyl)-1H-pyrrol-2-yl]methanamine

C13H16N2O2 — CID 117001454

IUPAC[4-(3,4-dimethoxyphenyl)-1H-pyrrol-2-yl]methanamine
SMILESCOc1ccc(-c2c[nH]c(CN)c2)cc1OC
InChIInChI=1S/C13H16N2O2/c1-16-12-4-3-9(6-13(12)17-2)10-5-11(7-14)15-8-10/h3-6,8,15H,7,14H2,1-2H3
InChIKeyIWKVUNIJACWKEE-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.16
Rot. Bonds4

About [4-(3,4-dimethoxyphenyl)-1H-pyrrol-2-yl]methanamine

[4-(3,4-dimethoxyphenyl)-1H-pyrrol-2-yl]methanamine (PubChem CID 117001454) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is [4-(3,4-dimethoxyphenyl)-1H-pyrrol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(3,4-dimethoxyphenyl)-1H-pyrrol-2-yl]methanamine
PubChem CID117001454
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name[4-(3,4-dimethoxyphenyl)-1H-pyrrol-2-yl]methanamine
SMILESCOc1ccc(-c2c[nH]c(CN)c2)cc1OC
InChIInChI=1S/C13H16N2O2/c1-16-12-4-3-9(6-13(12)17-2)10-5-11(7-14)15-8-10/h3-6,8,15H,7,14H2,1-2H3
InChIKeyIWKVUNIJACWKEE-UHFFFAOYSA-N
XLogP2.16
TPSA60.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4-dimethoxyphenyl)-1H-pyrimidine-2-thione
CID 11482037
1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane
CID 142094347
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine
CID 82290574
2-(3,4-dimethoxyphenyl)-1H-pyridin-4-one
CID 53229468
4-(4-bromophenyl)-1,2-dimethoxybenzene
CID 83666365
[4-(3,4-dimethoxyphenyl)thiophen-3-yl]methanamine
CID 82480620
[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;hydrochloride
CID 45156819
[5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 82131112
[4-(3,4-dimethoxyphenyl)-3-fluorophenyl]methanamine
CID 81446939
4,5,10,11,16,17-hexakis(3,4-dimethoxyphenyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 101071642
1-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-amine
CID 61026046
4-(3,4-dimethoxyphenyl)benzamide
CID 152593806

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethoxyphenyl)-1H-pyrrol-2-yl]methanamine?
The IUPAC name of [4-(3,4-dimethoxyphenyl)-1H-pyrrol-2-yl]methanamine (CID 117001454) is [4-(3,4-dimethoxyphenyl)-1H-pyrrol-2-yl]methanamine.
What is the SMILES notation for [4-(3,4-dimethoxyphenyl)-1H-pyrrol-2-yl]methanamine?
The canonical SMILES for [4-(3,4-dimethoxyphenyl)-1H-pyrrol-2-yl]methanamine is COc1ccc(-c2c[nH]c(CN)c2)cc1OC.
What is the InChIKey of [4-(3,4-dimethoxyphenyl)-1H-pyrrol-2-yl]methanamine?
The InChIKey is IWKVUNIJACWKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-16-12-4-3-9(6-13(12)17-2)10-5-11(7-14)15-8-10/h3-6,8,15H,7,14H2,1-2H3.
What are the key properties of [4-(3,4-dimethoxyphenyl)-1H-pyrrol-2-yl]methanamine?
[4-(3,4-dimethoxyphenyl)-1H-pyrrol-2-yl]methanamine has a molecular weight of 232.28 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethoxyphenyl)-1H-pyrrol-2-yl]methanamine is sourced from PubChem (CID 117001454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).