N,N-dimethyl-1-(2-methyl-1H-indol-4-yl)methanamine

C12H16N2 — CID 89305808

IUPACN,N-dimethyl-1-(2-methyl-1H-indol-4-yl)methanamine
SMILESCc1cc2c(CN(C)C)cccc2[nH]1
InChIInChI=1S/C12H16N2/c1-9-7-11-10(8-14(2)3)5-4-6-12(11)13-9/h4-7,13H,8H2,1-3H3
InChIKeyPAENAYRJAUZFDR-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.54
Rot. Bonds2

About N,N-dimethyl-1-(2-methyl-1H-indol-4-yl)methanamine

N,N-dimethyl-1-(2-methyl-1H-indol-4-yl)methanamine (PubChem CID 89305808) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-methyl-1H-indol-4-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-methyl-1H-indol-4-yl)methanamine
PubChem CID89305808
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC NameN,N-dimethyl-1-(2-methyl-1H-indol-4-yl)methanamine
SMILESCc1cc2c(CN(C)C)cccc2[nH]1
InChIInChI=1S/C12H16N2/c1-9-7-11-10(8-14(2)3)5-4-6-12(11)13-9/h4-7,13H,8H2,1-3H3
InChIKeyPAENAYRJAUZFDR-UHFFFAOYSA-N
XLogP2.54
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-methyl-1H-indol-4-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(2-methyl-1H-indol-4-yl)methanamine (CID 89305808) is N,N-dimethyl-1-(2-methyl-1H-indol-4-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(2-methyl-1H-indol-4-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(2-methyl-1H-indol-4-yl)methanamine is Cc1cc2c(CN(C)C)cccc2[nH]1.
What is the InChIKey of N,N-dimethyl-1-(2-methyl-1H-indol-4-yl)methanamine?
The InChIKey is PAENAYRJAUZFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-9-7-11-10(8-14(2)3)5-4-6-12(11)13-9/h4-7,13H,8H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(2-methyl-1H-indol-4-yl)methanamine?
N,N-dimethyl-1-(2-methyl-1H-indol-4-yl)methanamine has a molecular weight of 188.27 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-methyl-1H-indol-4-yl)methanamine is sourced from PubChem (CID 89305808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).