N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine;hydrochloride

C21H28ClNO — CID 67867574

IUPACN-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine;hydrochloride
SMILESCOc1ccc2c(c1)C(CN(C)CCc1ccccc1)CCC2.Cl
InChIInChI=1S/C21H27NO.ClH/c1-22(14-13-17-7-4-3-5-8-17)16-19-10-6-9-18-11-12-20(23-2)15-21(18)19;/h3-5,7-8,11-12,15,19H,6,9-10,13-14,16H2,1-2H3;1H
InChIKeyJDVTVFIGBQGWFF-UHFFFAOYSA-N
MW345.91 g/mol
LogP4.71
Rot. Bonds6

About N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine;hydrochloride

N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine;hydrochloride (PubChem CID 67867574) has the molecular formula C21H28ClNO and a molecular weight of 345.91 g/mol. Its IUPAC name is N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine;hydrochloride
PubChem CID67867574
Molecular FormulaC21H28ClNO
Molecular Weight345.91 g/mol
Exact Mass345.19
IUPAC NameN-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine;hydrochloride
SMILESCOc1ccc2c(c1)C(CN(C)CCc1ccccc1)CCC2.Cl
InChIInChI=1S/C21H27NO.ClH/c1-22(14-13-17-7-4-3-5-8-17)16-19-10-6-9-18-11-12-20(23-2)15-21(18)19;/h3-5,7-8,11-12,15,19H,6,9-10,13-14,16H2,1-2H3;1H
InChIKeyJDVTVFIGBQGWFF-UHFFFAOYSA-N
XLogP4.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.91
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine;hydrochloride with MolForge

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Related Compounds

N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine
CID 15029798
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
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 15720552
N-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79240006
5-[[2-(3-hydroxyphenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
CID 19882664
(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 71756873
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethylazanium chloride
CID 175673500
(1R)-1-(3-bromopropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene
CID 129362608
N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-2-amine
CID 79248252
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 82079561
2-(3,4-dihydro-1H-isochromen-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
CID 19098393

Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine;hydrochloride?
The IUPAC name of N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine;hydrochloride (CID 67867574) is N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine;hydrochloride.
What is the SMILES notation for N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine;hydrochloride?
The canonical SMILES for N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine;hydrochloride is COc1ccc2c(c1)C(CN(C)CCc1ccccc1)CCC2.Cl.
What is the InChIKey of N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine;hydrochloride?
The InChIKey is JDVTVFIGBQGWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO.ClH/c1-22(14-13-17-7-4-3-5-8-17)16-19-10-6-9-18-11-12-20(23-2)15-21(18)19;/h3-5,7-8,11-12,15,19H,6,9-10,13-14,16H2,1-2H3;1H.
What are the key properties of N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine;hydrochloride?
N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine;hydrochloride has a molecular weight of 345.91 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine;hydrochloride is sourced from PubChem (CID 67867574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).