N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine

C25H28N2O2 — CID 166297394

IUPACN-[(4,5-dimethoxy-2-phenylphenyl)methyl]-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
SMILESCOc1cc(CNCC2CCCc3cccnc32)c(-c2ccccc2)cc1OC
InChIInChI=1S/C25H28N2O2/c1-28-23-14-21(22(15-24(23)29-2)18-8-4-3-5-9-18)17-26-16-20-11-6-10-19-12-7-13-27-25(19)20/h3-5,7-9,12-15,20,26H,6,10-11,16-17H2,1-2H3
InChIKeyBPNIZRIIOVISKN-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.98
Rot. Bonds7

About N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine

N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine (PubChem CID 166297394) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine.

Molecular Properties

Compound NameN-[(4,5-dimethoxy-2-phenylphenyl)methyl]-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
PubChem CID166297394
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC NameN-[(4,5-dimethoxy-2-phenylphenyl)methyl]-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
SMILESCOc1cc(CNCC2CCCc3cccnc32)c(-c2ccccc2)cc1OC
InChIInChI=1S/C25H28N2O2/c1-28-23-14-21(22(15-24(23)29-2)18-8-4-3-5-9-18)17-26-16-20-11-6-10-19-12-7-13-27-25(19)20/h3-5,7-9,12-15,20,26H,6,10-11,16-17H2,1-2H3
InChIKeyBPNIZRIIOVISKN-UHFFFAOYSA-N
XLogP4.98
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2-methoxyphenyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 142661060
N-[(2-methoxyphenyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 60733536
5,6,7,8-tetrahydroquinolin-8-ylmethylhydrazine
CID 105220811
1-(4,5-dimethoxy-2-phenylphenyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)methanamine
CID 119110935
2-[2-[(4,5-dimethoxy-2-phenylphenyl)methylamino]ethoxy]ethanol
CID 119111857
N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 119123092
N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3-methoxypropan-1-amine
CID 119110830
1-(4,5-dimethoxy-2-phenylphenyl)-N,N-dimethylmethanamine
CID 162400127
2-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]acetaldehyde
CID 93476901
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 79748066
N-[(3-methyl-2-pyridinyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 63771252
N-propyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79738591

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
The IUPAC name of N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine (CID 166297394) is N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine.
What is the SMILES notation for N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
The canonical SMILES for N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine is COc1cc(CNCC2CCCc3cccnc32)c(-c2ccccc2)cc1OC.
What is the InChIKey of N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
The InChIKey is BPNIZRIIOVISKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-28-23-14-21(22(15-24(23)29-2)18-8-4-3-5-9-18)17-26-16-20-11-6-10-19-12-7-13-27-25(19)20/h3-5,7-9,12-15,20,26H,6,10-11,16-17H2,1-2H3.
What are the key properties of N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine has a molecular weight of 388.51 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine is sourced from PubChem (CID 166297394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).