N-[(3-pyridin-4-ylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-3-amine

C21H21N3 — CID 166362640

IUPACN-[(3-pyridin-4-ylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-3-amine
SMILESc1cc(CNC2CNc3ccccc3C2)cc(-c2ccncc2)c1
InChIInChI=1S/C21H21N3/c1-2-7-21-19(5-1)13-20(15-24-21)23-14-16-4-3-6-18(12-16)17-8-10-22-11-9-17/h1-12,20,23-24H,13-15H2
InChIKeyAUJFFBYKBVOUGA-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.88
Rot. Bonds4

About N-[(3-pyridin-4-ylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-3-amine

N-[(3-pyridin-4-ylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-3-amine (PubChem CID 166362640) has the molecular formula C21H21N3 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(3-pyridin-4-ylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-3-amine.

Molecular Properties

Compound NameN-[(3-pyridin-4-ylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-3-amine
PubChem CID166362640
Molecular FormulaC21H21N3
Molecular Weight315.42 g/mol
Exact Mass315.17
IUPAC NameN-[(3-pyridin-4-ylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-3-amine
SMILESc1cc(CNC2CNc3ccccc3C2)cc(-c2ccncc2)c1
InChIInChI=1S/C21H21N3/c1-2-7-21-19(5-1)13-20(15-24-21)23-14-16-4-3-6-18(12-16)17-8-10-22-11-9-17/h1-12,20,23-24H,13-15H2
InChIKeyAUJFFBYKBVOUGA-UHFFFAOYSA-N
XLogP3.88
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-methyl-1,2,3,4-tetrahydroquinolin-3-amine
CID 96558902
(1R,2S)-1-[(3-phenylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 47075671
N-[(3-cyclopropylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 107849884
N-cyclobutyl-1,2,3,4-tetrahydroquinolin-3-amine
CID 105454816
3-(4-phenylphenyl)-1,2,3,4-tetrahydroquinoline
CID 101408194
N-[[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]cyclopropanamine
CID 102708741
N-[[3-(1H-imidazol-5-yl)phenyl]methyl]cycloheptanamine
CID 10778413
4-[(3-nitrophenyl)methylamino]pyrrolidin-2-one
CID 114155136
1-[3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]phenyl]imidazolidin-2-one
CID 59316484
(3-pyridin-4-ylphenyl)methanamine;dihydrochloride
CID 23086760
N-[[3-(3,5-dimethylphenyl)phenyl]methyl]cyclopropanamine
CID 54912714
N-[[3-(2,3-dihydro-1H-inden-5-yl)phenyl]methyl]cyclopropanamine
CID 61034448

Frequently Asked Questions

What is the IUPAC name of N-[(3-pyridin-4-ylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-3-amine?
The IUPAC name of N-[(3-pyridin-4-ylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-3-amine (CID 166362640) is N-[(3-pyridin-4-ylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-3-amine.
What is the SMILES notation for N-[(3-pyridin-4-ylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-3-amine?
The canonical SMILES for N-[(3-pyridin-4-ylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-3-amine is c1cc(CNC2CNc3ccccc3C2)cc(-c2ccncc2)c1.
What is the InChIKey of N-[(3-pyridin-4-ylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-3-amine?
The InChIKey is AUJFFBYKBVOUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3/c1-2-7-21-19(5-1)13-20(15-24-21)23-14-16-4-3-6-18(12-16)17-8-10-22-11-9-17/h1-12,20,23-24H,13-15H2.
What are the key properties of N-[(3-pyridin-4-ylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-3-amine?
N-[(3-pyridin-4-ylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-3-amine has a molecular weight of 315.42 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-pyridin-4-ylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-3-amine is sourced from PubChem (CID 166362640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).