4-[4-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-2-amine

C12H15N3 — CID 141329789

IUPAC4-[4-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-2-amine
SMILESCNc1cc(-c2ccc(CN)cc2)c[nH]1
InChIInChI=1S/C12H15N3/c1-14-12-6-11(8-15-12)10-4-2-9(7-13)3-5-10/h2-6,8,14-15H,7,13H2,1H3
InChIKeyNKIWCKTXPZGKNE-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.18
Rot. Bonds3

About 4-[4-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-2-amine

4-[4-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-2-amine (PubChem CID 141329789) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-[4-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-2-amine.

Molecular Properties

Compound Name4-[4-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-2-amine
PubChem CID141329789
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name4-[4-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-2-amine
SMILESCNc1cc(-c2ccc(CN)cc2)c[nH]1
InChIInChI=1S/C12H15N3/c1-14-12-6-11(8-15-12)10-4-2-9(7-13)3-5-10/h2-6,8,14-15H,7,13H2,1H3
InChIKeyNKIWCKTXPZGKNE-UHFFFAOYSA-N
XLogP2.18
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-2-amine?
The IUPAC name of 4-[4-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-2-amine (CID 141329789) is 4-[4-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-2-amine.
What is the SMILES notation for 4-[4-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-2-amine?
The canonical SMILES for 4-[4-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-2-amine is CNc1cc(-c2ccc(CN)cc2)c[nH]1.
What is the InChIKey of 4-[4-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-2-amine?
The InChIKey is NKIWCKTXPZGKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-14-12-6-11(8-15-12)10-4-2-9(7-13)3-5-10/h2-6,8,14-15H,7,13H2,1H3.
What are the key properties of 4-[4-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-2-amine?
4-[4-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-2-amine has a molecular weight of 201.27 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-2-amine is sourced from PubChem (CID 141329789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).