6-[[(4-methoxyphenyl)methyl-(oxan-4-ylmethyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine

C25H34N2O2 — CID 66664087

IUPAC6-[[(4-methoxyphenyl)methyl-(oxan-4-ylmethyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc(CN(Cc2ccc3c(c2)CCC(N)C3)CC2CCOCC2)cc1
InChIInChI=1S/C25H34N2O2/c1-28-25-8-3-19(4-9-25)16-27(17-20-10-12-29-13-11-20)18-21-2-5-23-15-24(26)7-6-22(23)14-21/h2-5,8-9,14,20,24H,6-7,10-13,15-18,26H2,1H3
InChIKeyDFPRGTXDWWBFPA-UHFFFAOYSA-N
MW394.56 g/mol
LogP3.94
Rot. Bonds7

About 6-[[(4-methoxyphenyl)methyl-(oxan-4-ylmethyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine

6-[[(4-methoxyphenyl)methyl-(oxan-4-ylmethyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 66664087) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 6-[[(4-methoxyphenyl)methyl-(oxan-4-ylmethyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-[[(4-methoxyphenyl)methyl-(oxan-4-ylmethyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID66664087
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name6-[[(4-methoxyphenyl)methyl-(oxan-4-ylmethyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc(CN(Cc2ccc3c(c2)CCC(N)C3)CC2CCOCC2)cc1
InChIInChI=1S/C25H34N2O2/c1-28-25-8-3-19(4-9-25)16-27(17-20-10-12-29-13-11-20)18-21-2-5-23-15-24(26)7-6-22(23)14-21/h2-5,8-9,14,20,24H,6-7,10-13,15-18,26H2,1H3
InChIKeyDFPRGTXDWWBFPA-UHFFFAOYSA-N
XLogP3.94
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[(4-methoxyphenyl)methyl-(oxan-4-ylmethyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-[[(4-methoxyphenyl)methyl-(oxan-4-ylmethyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 66664087) is 6-[[(4-methoxyphenyl)methyl-(oxan-4-ylmethyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-[[(4-methoxyphenyl)methyl-(oxan-4-ylmethyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-[[(4-methoxyphenyl)methyl-(oxan-4-ylmethyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is COc1ccc(CN(Cc2ccc3c(c2)CCC(N)C3)CC2CCOCC2)cc1.
What is the InChIKey of 6-[[(4-methoxyphenyl)methyl-(oxan-4-ylmethyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is DFPRGTXDWWBFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-28-25-8-3-19(4-9-25)16-27(17-20-10-12-29-13-11-20)18-21-2-5-23-15-24(26)7-6-22(23)14-21/h2-5,8-9,14,20,24H,6-7,10-13,15-18,26H2,1H3.
What are the key properties of 6-[[(4-methoxyphenyl)methyl-(oxan-4-ylmethyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
6-[[(4-methoxyphenyl)methyl-(oxan-4-ylmethyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 394.56 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(4-methoxyphenyl)methyl-(oxan-4-ylmethyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 66664087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).