N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine

C21H27NO — CID 15029798

IUPACN-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine
SMILESCOc1ccc2c(c1)CCCC2CN(C)CCc1ccccc1
InChIInChI=1S/C21H27NO/c1-22(14-13-17-7-4-3-5-8-17)16-19-10-6-9-18-15-20(23-2)11-12-21(18)19/h3-5,7-8,11-12,15,19H,6,9-10,13-14,16H2,1-2H3
InChIKeyRZGDNLRVDJOFRC-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.29
Rot. Bonds6

About N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine

N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine (PubChem CID 15029798) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine.

Molecular Properties

Compound NameN-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine
PubChem CID15029798
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC NameN-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine
SMILESCOc1ccc2c(c1)CCCC2CN(C)CCc1ccccc1
InChIInChI=1S/C21H27NO/c1-22(14-13-17-7-4-3-5-8-17)16-19-10-6-9-18-15-20(23-2)11-12-21(18)19/h3-5,7-8,11-12,15,19H,6,9-10,13-14,16H2,1-2H3
InChIKeyRZGDNLRVDJOFRC-UHFFFAOYSA-N
XLogP4.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine;hydrochloride
CID 67867574
3-[2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]phenol
CID 15029870
N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-thiophen-3-ylethanamine
CID 15029799
5-[[2-(3-hydroxyphenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
CID 19882664
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
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
N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-(2-thiophen-2-ylethyl)propan-1-amine;hydrochloride
CID 23126384
N-methoxy-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide
CID 97314076
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-4-phenylbutan-1-amine
CID 67936246
(1R)-1-(3-bromopropyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene
CID 129410305

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine?
The IUPAC name of N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine (CID 15029798) is N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine.
What is the SMILES notation for N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine?
The canonical SMILES for N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine is COc1ccc2c(c1)CCCC2CN(C)CCc1ccccc1.
What is the InChIKey of N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine?
The InChIKey is RZGDNLRVDJOFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-22(14-13-17-7-4-3-5-8-17)16-19-10-6-9-18-15-20(23-2)11-12-21(18)19/h3-5,7-8,11-12,15,19H,6,9-10,13-14,16H2,1-2H3.
What are the key properties of N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine?
N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine has a molecular weight of 309.45 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine is sourced from PubChem (CID 15029798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).