1-[6-[[4-(4-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine

C27H31NO2 — CID 170189620

IUPAC1-[6-[[4-(4-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine
SMILESCOc1ccc(-c2ccc(COc3ccc4c(c3)CCCC4CN(C)C)cc2)cc1
InChIInChI=1S/C27H31NO2/c1-28(2)18-24-6-4-5-23-17-26(15-16-27(23)24)30-19-20-7-9-21(10-8-20)22-11-13-25(29-3)14-12-22/h7-17,24H,4-6,18-19H2,1-3H3
InChIKeyMDAHCUWMNXYSFI-UHFFFAOYSA-N
MW401.55 g/mol
LogP5.92
Rot. Bonds7

About 1-[6-[[4-(4-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine

1-[6-[[4-(4-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine (PubChem CID 170189620) has the molecular formula C27H31NO2 and a molecular weight of 401.55 g/mol. Its IUPAC name is 1-[6-[[4-(4-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[6-[[4-(4-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine
PubChem CID170189620
Molecular FormulaC27H31NO2
Molecular Weight401.55 g/mol
Exact Mass401.24
IUPAC Name1-[6-[[4-(4-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine
SMILESCOc1ccc(-c2ccc(COc3ccc4c(c3)CCCC4CN(C)C)cc2)cc1
InChIInChI=1S/C27H31NO2/c1-28(2)18-24-6-4-5-23-17-26(15-16-27(23)24)30-19-20-7-9-21(10-8-20)22-11-13-25(29-3)14-12-22/h7-17,24H,4-6,18-19H2,1-3H3
InChIKeyMDAHCUWMNXYSFI-UHFFFAOYSA-N
XLogP5.92
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[6-[[4-(4-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine with MolForge

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Related Compounds

5-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105458041
N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine
CID 15029798
N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-thiophen-3-ylethanamine
CID 15029799
3-[2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]phenol
CID 15029870
methyl 2-[6-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetate
CID 57135196
N-methoxy-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide
CID 97314076
2-[7-[(4-methoxyphenyl)methoxy]-3,4-dihydro-1H-isochromen-4-yl]acetaldehyde
CID 58990656
6-[(4-methoxyphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 54107064
(1R)-1-(3-bromopropyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene
CID 129410305
7-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 166633236
6-(4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 169410362
ethyl 2-[6-[[4-(2-butoxy-5-methylphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetate
CID 58990560

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[4-(4-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[6-[[4-(4-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine (CID 170189620) is 1-[6-[[4-(4-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[6-[[4-(4-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[6-[[4-(4-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine is COc1ccc(-c2ccc(COc3ccc4c(c3)CCCC4CN(C)C)cc2)cc1.
What is the InChIKey of 1-[6-[[4-(4-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine?
The InChIKey is MDAHCUWMNXYSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO2/c1-28(2)18-24-6-4-5-23-17-26(15-16-27(23)24)30-19-20-7-9-21(10-8-20)22-11-13-25(29-3)14-12-22/h7-17,24H,4-6,18-19H2,1-3H3.
What are the key properties of 1-[6-[[4-(4-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine?
1-[6-[[4-(4-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine has a molecular weight of 401.55 g/mol, XLogP of 5.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[4-(4-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 170189620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).