[3-[[6-(aminomethyl)indol-1-yl]methyl]phenyl]methyl carbamate

C18H19N3O2 — CID 175555612

IUPAC[3-[[6-(aminomethyl)indol-1-yl]methyl]phenyl]methyl carbamate
SMILESNCc1ccc2ccn(Cc3cccc(COC(N)=O)c3)c2c1
InChIInChI=1S/C18H19N3O2/c19-10-13-4-5-16-6-7-21(17(16)9-13)11-14-2-1-3-15(8-14)12-23-18(20)22/h1-9H,10-12,19H2,(H2,20,22)
InChIKeyYWUIIZBNTGNGMB-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.74
Rot. Bonds5

About [3-[[6-(aminomethyl)indol-1-yl]methyl]phenyl]methyl carbamate

[3-[[6-(aminomethyl)indol-1-yl]methyl]phenyl]methyl carbamate (PubChem CID 175555612) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is [3-[[6-(aminomethyl)indol-1-yl]methyl]phenyl]methyl carbamate.

Molecular Properties

Compound Name[3-[[6-(aminomethyl)indol-1-yl]methyl]phenyl]methyl carbamate
PubChem CID175555612
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name[3-[[6-(aminomethyl)indol-1-yl]methyl]phenyl]methyl carbamate
SMILESNCc1ccc2ccn(Cc3cccc(COC(N)=O)c3)c2c1
InChIInChI=1S/C18H19N3O2/c19-10-13-4-5-16-6-7-21(17(16)9-13)11-14-2-1-3-15(8-14)12-23-18(20)22/h1-9H,10-12,19H2,(H2,20,22)
InChIKeyYWUIIZBNTGNGMB-UHFFFAOYSA-N
XLogP2.74
TPSA83.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[[6-(aminomethyl)indol-1-yl]methyl]phenyl]methyl carbamate?
The IUPAC name of [3-[[6-(aminomethyl)indol-1-yl]methyl]phenyl]methyl carbamate (CID 175555612) is [3-[[6-(aminomethyl)indol-1-yl]methyl]phenyl]methyl carbamate.
What is the SMILES notation for [3-[[6-(aminomethyl)indol-1-yl]methyl]phenyl]methyl carbamate?
The canonical SMILES for [3-[[6-(aminomethyl)indol-1-yl]methyl]phenyl]methyl carbamate is NCc1ccc2ccn(Cc3cccc(COC(N)=O)c3)c2c1.
What is the InChIKey of [3-[[6-(aminomethyl)indol-1-yl]methyl]phenyl]methyl carbamate?
The InChIKey is YWUIIZBNTGNGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c19-10-13-4-5-16-6-7-21(17(16)9-13)11-14-2-1-3-15(8-14)12-23-18(20)22/h1-9H,10-12,19H2,(H2,20,22).
What are the key properties of [3-[[6-(aminomethyl)indol-1-yl]methyl]phenyl]methyl carbamate?
[3-[[6-(aminomethyl)indol-1-yl]methyl]phenyl]methyl carbamate has a molecular weight of 309.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[6-(aminomethyl)indol-1-yl]methyl]phenyl]methyl carbamate is sourced from PubChem (CID 175555612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).