2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-4-phenylbutan-1-amine

C22H29NO — CID 67936246

IUPAC2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-4-phenylbutan-1-amine
SMILESCNCC(CCc1ccccc1)C1CCCc2cc(OC)ccc21
InChIInChI=1S/C22H29NO/c1-23-16-19(12-11-17-7-4-3-5-8-17)21-10-6-9-18-15-20(24-2)13-14-22(18)21/h3-5,7-8,13-15,19,21,23H,6,9-12,16H2,1-2H3
InChIKeyXNXLCNZEVQHCNB-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.58
Rot. Bonds7

About 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-4-phenylbutan-1-amine

2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-4-phenylbutan-1-amine (PubChem CID 67936246) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-4-phenylbutan-1-amine.

Molecular Properties

Compound Name2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-4-phenylbutan-1-amine
PubChem CID67936246
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-4-phenylbutan-1-amine
SMILESCNCC(CCc1ccccc1)C1CCCc2cc(OC)ccc21
InChIInChI=1S/C22H29NO/c1-23-16-19(12-11-17-7-4-3-5-8-17)21-10-6-9-18-15-20(24-2)13-14-22(18)21/h3-5,7-8,13-15,19,21,23H,6,9-12,16H2,1-2H3
InChIKeyXNXLCNZEVQHCNB-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(methylamino)propyl]aniline
CID 19889849
N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine
CID 15029798
N-methyl-3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine
CID 63251085
2-(furan-2-yl)-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylpropan-1-amine
CID 57256768
5-[1-(3-fluorophenyl)-3-(methylamino)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 67867492
3-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(methylamino)propan-2-yl]aniline
CID 57291928
7-methoxy-2-methyl-3-(3-phenylpropyl)-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole
CID 19793364
N-butan-2-yl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43190307
1-cyclopropyl-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 55172738
(1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10611903
N-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79240006
6-methoxy-N-(5-methylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115324453

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-4-phenylbutan-1-amine?
The IUPAC name of 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-4-phenylbutan-1-amine (CID 67936246) is 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-4-phenylbutan-1-amine.
What is the SMILES notation for 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-4-phenylbutan-1-amine?
The canonical SMILES for 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-4-phenylbutan-1-amine is CNCC(CCc1ccccc1)C1CCCc2cc(OC)ccc21.
What is the InChIKey of 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-4-phenylbutan-1-amine?
The InChIKey is XNXLCNZEVQHCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c1-23-16-19(12-11-17-7-4-3-5-8-17)21-10-6-9-18-15-20(24-2)13-14-22(18)21/h3-5,7-8,13-15,19,21,23H,6,9-12,16H2,1-2H3.
What are the key properties of 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-4-phenylbutan-1-amine?
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-4-phenylbutan-1-amine has a molecular weight of 323.48 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-4-phenylbutan-1-amine is sourced from PubChem (CID 67936246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).