3-[2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]phenol

C21H27NO2 — CID 15029870

IUPAC3-[2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]phenol
SMILESCOc1ccc2c(c1)CCCC2CN(C)CCc1cccc(O)c1
InChIInChI=1S/C21H27NO2/c1-22(12-11-16-5-3-8-19(23)13-16)15-18-7-4-6-17-14-20(24-2)9-10-21(17)18/h3,5,8-10,13-14,18,23H,4,6-7,11-12,15H2,1-2H3
InChIKeyKZAQKURUICWFMA-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.00
Rot. Bonds6

About 3-[2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]phenol

3-[2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]phenol (PubChem CID 15029870) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 3-[2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]phenol.

Molecular Properties

Compound Name3-[2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]phenol
PubChem CID15029870
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name3-[2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]phenol
SMILESCOc1ccc2c(c1)CCCC2CN(C)CCc1cccc(O)c1
InChIInChI=1S/C21H27NO2/c1-22(12-11-16-5-3-8-19(23)13-16)15-18-7-4-6-17-14-20(24-2)9-10-21(17)18/h3,5,8-10,13-14,18,23H,4,6-7,11-12,15H2,1-2H3
InChIKeyKZAQKURUICWFMA-UHFFFAOYSA-N
XLogP4.00
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine
CID 15029798
5-[[2-(3-hydroxyphenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
CID 19882664
N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-thiophen-3-ylethanamine
CID 15029799
N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine;hydrochloride
CID 67867574
5-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 15029809
5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 67913401
5-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105458041
1-[6-[[4-(4-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine
CID 170189620
5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide
CID 67913400
2-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine;methanesulfonic acid
CID 19098496
N-methoxy-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide
CID 97314076
N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-(2-thiophen-2-ylethyl)propan-1-amine;hydrochloride
CID 23126384

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]phenol?
The IUPAC name of 3-[2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]phenol (CID 15029870) is 3-[2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]phenol.
What is the SMILES notation for 3-[2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]phenol?
The canonical SMILES for 3-[2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]phenol is COc1ccc2c(c1)CCCC2CN(C)CCc1cccc(O)c1.
What is the InChIKey of 3-[2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]phenol?
The InChIKey is KZAQKURUICWFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-22(12-11-16-5-3-8-19(23)13-16)15-18-7-4-6-17-14-20(24-2)9-10-21(17)18/h3,5,8-10,13-14,18,23H,4,6-7,11-12,15H2,1-2H3.
What are the key properties of 3-[2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]phenol?
3-[2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]phenol has a molecular weight of 325.45 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]phenol is sourced from PubChem (CID 15029870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).