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'}

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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).