3-[[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]-methylamino]phenol

C17H21N3O — CID 107733671

IUPAC3-[[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]-methylamino]phenol
SMILESCN(c1cccc(O)c1)c1nc2c(cc1CN)CCCC2
InChIInChI=1S/C17H21N3O/c1-20(14-6-4-7-15(21)10-14)17-13(11-18)9-12-5-2-3-8-16(12)19-17/h4,6-7,9-10,21H,2-3,5,8,11,18H2,1H3
InChIKeyQSFLMTJOODVWKG-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.89
Rot. Bonds3

About 3-[[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]-methylamino]phenol

3-[[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]-methylamino]phenol (PubChem CID 107733671) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-[[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]-methylamino]phenol.

Molecular Properties

Compound Name3-[[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]-methylamino]phenol
PubChem CID107733671
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-[[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]-methylamino]phenol
SMILESCN(c1cccc(O)c1)c1nc2c(cc1CN)CCCC2
InChIInChI=1S/C17H21N3O/c1-20(14-6-4-7-15(21)10-14)17-13(11-18)9-12-5-2-3-8-16(12)19-17/h4,6-7,9-10,21H,2-3,5,8,11,18H2,1H3
InChIKeyQSFLMTJOODVWKG-UHFFFAOYSA-N
XLogP2.89
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]-methylamino]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]-methylamino]phenol?
The IUPAC name of 3-[[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]-methylamino]phenol (CID 107733671) is 3-[[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]-methylamino]phenol.
What is the SMILES notation for 3-[[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]-methylamino]phenol?
The canonical SMILES for 3-[[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]-methylamino]phenol is CN(c1cccc(O)c1)c1nc2c(cc1CN)CCCC2.
What is the InChIKey of 3-[[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]-methylamino]phenol?
The InChIKey is QSFLMTJOODVWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-20(14-6-4-7-15(21)10-14)17-13(11-18)9-12-5-2-3-8-16(12)19-17/h4,6-7,9-10,21H,2-3,5,8,11,18H2,1H3.
What are the key properties of 3-[[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]-methylamino]phenol?
3-[[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]-methylamino]phenol has a molecular weight of 283.38 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]-methylamino]phenol is sourced from PubChem (CID 107733671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).