[3-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]-4-methylphenyl]methanol

C28H34N2O2 — CID 44568047

IUPAC[3-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]-4-methylphenyl]methanol
SMILESCCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2Nc1cc(CO)ccc1C
InChIInChI=1S/C28H34N2O2/c1-5-20-9-7-10-21(6-2)27(20)25-16-26(32-4)28-22(11-8-12-23(28)30-25)29-24-15-19(17-31)14-13-18(24)3/h7,9-10,13-16,22,29,31H,5-6,8,11-12,17H2,1-4H3
InChIKeyZPQBDCPWRMYVJM-UHFFFAOYSA-N
MW430.59 g/mol
LogP6.17
Rot. Bonds7

About [3-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]-4-methylphenyl]methanol

[3-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]-4-methylphenyl]methanol (PubChem CID 44568047) has the molecular formula C28H34N2O2 and a molecular weight of 430.59 g/mol. Its IUPAC name is [3-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]-4-methylphenyl]methanol.

Molecular Properties

Compound Name[3-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]-4-methylphenyl]methanol
PubChem CID44568047
Molecular FormulaC28H34N2O2
Molecular Weight430.59 g/mol
Exact Mass430.26
IUPAC Name[3-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]-4-methylphenyl]methanol
SMILESCCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2Nc1cc(CO)ccc1C
InChIInChI=1S/C28H34N2O2/c1-5-20-9-7-10-21(6-2)27(20)25-16-26(32-4)28-22(11-8-12-23(28)30-25)29-24-15-19(17-31)14-13-18(24)3/h7,9-10,13-16,22,29,31H,5-6,8,11-12,17H2,1-4H3
InChIKeyZPQBDCPWRMYVJM-UHFFFAOYSA-N
XLogP6.17
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.59
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]-4-methylphenyl]methanol?
The IUPAC name of [3-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]-4-methylphenyl]methanol (CID 44568047) is [3-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]-4-methylphenyl]methanol.
What is the SMILES notation for [3-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]-4-methylphenyl]methanol?
The canonical SMILES for [3-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]-4-methylphenyl]methanol is CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2Nc1cc(CO)ccc1C.
What is the InChIKey of [3-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]-4-methylphenyl]methanol?
The InChIKey is ZPQBDCPWRMYVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O2/c1-5-20-9-7-10-21(6-2)27(20)25-16-26(32-4)28-22(11-8-12-23(28)30-25)29-24-15-19(17-31)14-13-18(24)3/h7,9-10,13-16,22,29,31H,5-6,8,11-12,17H2,1-4H3.
What are the key properties of [3-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]-4-methylphenyl]methanol?
[3-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]-4-methylphenyl]methanol has a molecular weight of 430.59 g/mol, XLogP of 6.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]-4-methylphenyl]methanol is sourced from PubChem (CID 44568047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).