7-[[3-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine

C19H21N3O — CID 91971383

IUPAC7-[[3-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine
SMILESCN(C)Cc1cccc(OCc2ccc3ccc(N)nc3c2)c1
InChIInChI=1S/C19H21N3O/c1-22(2)12-14-4-3-5-17(10-14)23-13-15-6-7-16-8-9-19(20)21-18(16)11-15/h3-11H,12-13H2,1-2H3,(H2,20,21)
InChIKeyNTASSNARMLLQTN-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.46
Rot. Bonds5

About 7-[[3-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine

7-[[3-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine (PubChem CID 91971383) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 7-[[3-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine.

Molecular Properties

Compound Name7-[[3-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine
PubChem CID91971383
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name7-[[3-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine
SMILESCN(C)Cc1cccc(OCc2ccc3ccc(N)nc3c2)c1
InChIInChI=1S/C19H21N3O/c1-22(2)12-14-4-3-5-17(10-14)23-13-15-6-7-16-8-9-19(20)21-18(16)11-15/h3-11H,12-13H2,1-2H3,(H2,20,21)
InChIKeyNTASSNARMLLQTN-UHFFFAOYSA-N
XLogP3.46
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[[3-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine 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 7-[[3-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine?
The IUPAC name of 7-[[3-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine (CID 91971383) is 7-[[3-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine.
What is the SMILES notation for 7-[[3-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine?
The canonical SMILES for 7-[[3-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine is CN(C)Cc1cccc(OCc2ccc3ccc(N)nc3c2)c1.
What is the InChIKey of 7-[[3-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine?
The InChIKey is NTASSNARMLLQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-22(2)12-14-4-3-5-17(10-14)23-13-15-6-7-16-8-9-19(20)21-18(16)11-15/h3-11H,12-13H2,1-2H3,(H2,20,21).
What are the key properties of 7-[[3-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine?
7-[[3-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine has a molecular weight of 307.40 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine is sourced from PubChem (CID 91971383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).