N,N-dimethyl-2-[6-[[4-(2,3,4-trimethoxy-6-methylphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;hydrochloride

C31H40ClNO4 — CID 18361500

IUPACN,N-dimethyl-2-[6-[[4-(2,3,4-trimethoxy-6-methylphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;hydrochloride
SMILESCOc1cc(C)c(-c2ccc(COc3ccc4c(c3)CCC(CCN(C)C)C4)cc2)c(OC)c1OC.Cl
InChIInChI=1S/C31H39NO4.ClH/c1-21-17-28(33-4)30(34-5)31(35-6)29(21)24-10-8-23(9-11-24)20-36-27-14-13-25-18-22(15-16-32(2)3)7-12-26(25)19-27;/h8-11,13-14,17,19,22H,7,12,15-16,18,20H2,1-6H3;1H
InChIKeyPTZWQLSYDNYWLO-UHFFFAOYSA-N
MW526.12 g/mol
LogP6.75
Rot. Bonds10

About N,N-dimethyl-2-[6-[[4-(2,3,4-trimethoxy-6-methylphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;hydrochloride

N,N-dimethyl-2-[6-[[4-(2,3,4-trimethoxy-6-methylphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;hydrochloride (PubChem CID 18361500) has the molecular formula C31H40ClNO4 and a molecular weight of 526.12 g/mol. Its IUPAC name is N,N-dimethyl-2-[6-[[4-(2,3,4-trimethoxy-6-methylphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-2-[6-[[4-(2,3,4-trimethoxy-6-methylphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;hydrochloride
PubChem CID18361500
Molecular FormulaC31H40ClNO4
Molecular Weight526.12 g/mol
Exact Mass525.26
IUPAC NameN,N-dimethyl-2-[6-[[4-(2,3,4-trimethoxy-6-methylphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;hydrochloride
SMILESCOc1cc(C)c(-c2ccc(COc3ccc4c(c3)CCC(CCN(C)C)C4)cc2)c(OC)c1OC.Cl
InChIInChI=1S/C31H39NO4.ClH/c1-21-17-28(33-4)30(34-5)31(35-6)29(21)24-10-8-23(9-11-24)20-36-27-14-13-25-18-22(15-16-32(2)3)7-12-26(25)19-27;/h8-11,13-14,17,19,22H,7,12,15-16,18,20H2,1-6H3;1H
InChIKeyPTZWQLSYDNYWLO-UHFFFAOYSA-N
XLogP6.75
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.12
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-2-[6-[[4-(2,3,4-trimethoxy-6-methylphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[6-[[4-(2,3,4-trimethoxy-6-methylphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;hydrochloride?
The IUPAC name of N,N-dimethyl-2-[6-[[4-(2,3,4-trimethoxy-6-methylphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;hydrochloride (CID 18361500) is N,N-dimethyl-2-[6-[[4-(2,3,4-trimethoxy-6-methylphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-2-[6-[[4-(2,3,4-trimethoxy-6-methylphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-2-[6-[[4-(2,3,4-trimethoxy-6-methylphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;hydrochloride is COc1cc(C)c(-c2ccc(COc3ccc4c(c3)CCC(CCN(C)C)C4)cc2)c(OC)c1OC.Cl.
What is the InChIKey of N,N-dimethyl-2-[6-[[4-(2,3,4-trimethoxy-6-methylphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;hydrochloride?
The InChIKey is PTZWQLSYDNYWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39NO4.ClH/c1-21-17-28(33-4)30(34-5)31(35-6)29(21)24-10-8-23(9-11-24)20-36-27-14-13-25-18-22(15-16-32(2)3)7-12-26(25)19-27;/h8-11,13-14,17,19,22H,7,12,15-16,18,20H2,1-6H3;1H.
What are the key properties of N,N-dimethyl-2-[6-[[4-(2,3,4-trimethoxy-6-methylphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;hydrochloride?
N,N-dimethyl-2-[6-[[4-(2,3,4-trimethoxy-6-methylphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;hydrochloride has a molecular weight of 526.12 g/mol, XLogP of 6.75, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[6-[[4-(2,3,4-trimethoxy-6-methylphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;hydrochloride is sourced from PubChem (CID 18361500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).