N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine

C19H25N3 — CID 82538771

IUPACN-[[4-(dimethylamino)phenyl]methyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
SMILESCN(C)c1ccc(CNc2ccc3c(c2)CCCN3C)cc1
InChIInChI=1S/C19H25N3/c1-21(2)18-9-6-15(7-10-18)14-20-17-8-11-19-16(13-17)5-4-12-22(19)3/h6-11,13,20H,4-5,12,14H2,1-3H3
InChIKeyNXCRWTBZLDWIKX-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.75
Rot. Bonds4

About N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine

N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine (PubChem CID 82538771) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
PubChem CID82538771
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
SMILESCN(C)c1ccc(CNc2ccc3c(c2)CCCN3C)cc1
InChIInChI=1S/C19H25N3/c1-21(2)18-9-6-15(7-10-18)14-20-17-8-11-19-16(13-17)5-4-12-22(19)3/h6-11,13,20H,4-5,12,14H2,1-3H3
InChIKeyNXCRWTBZLDWIKX-UHFFFAOYSA-N
XLogP3.75
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-ethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62097544
4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenol
CID 62094965
N',N'-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethane-1,2-diamine
CID 82539703
4-bromo-3-chloro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 107619336
4-chloro-3-fluoro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 63444151
3-chloro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62097010
[3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenyl]methanol
CID 62096158
3-methoxy-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62096662
3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]benzonitrile
CID 62097365
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 62097571
2-N,2-N-dimethyl-5-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyridine-2,5-diamine
CID 62095305
N-[2-(4-chlorophenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 110452234

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine (CID 82538771) is N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine is CN(C)c1ccc(CNc2ccc3c(c2)CCCN3C)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine?
The InChIKey is NXCRWTBZLDWIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-21(2)18-9-6-15(7-10-18)14-20-17-8-11-19-16(13-17)5-4-12-22(19)3/h6-11,13,20H,4-5,12,14H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine?
N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine has a molecular weight of 295.43 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine is sourced from PubChem (CID 82538771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).