acetylene;N-ethyl-N-[[4-[2-[ethyl(methyl)amino]ethoxy]-3-fluorophenyl]methyl]-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol

About acetylene;N-ethyl-N-[[4-[2-[ethyl(methyl)amino]ethoxy]-3-fluorophenyl]methyl]-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol

acetylene;N-ethyl-N-[[4-[2-[ethyl(methyl)amino]ethoxy]-3-fluorophenyl]methyl]-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 142915002) has the molecular formula C33H43FN2O3 and a molecular weight of 534.72 g/mol. Its IUPAC name is acetylene;N-ethyl-N-[[4-[2-[ethyl(methyl)amino]ethoxy]-3-fluorophenyl]methyl]-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name	acetylene;N-ethyl-N-[[4-[2-[ethyl(methyl)amino]ethoxy]-3-fluorophenyl]methyl]-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID	142915002
Molecular Formula	C33H43FN2O3
Molecular Weight	534.72 g/mol
Exact Mass	534.33
IUPAC Name	acetylene;N-ethyl-N-[[4-[2-[ethyl(methyl)amino]ethoxy]-3-fluorophenyl]methyl]-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol
SMILES	C#C.CCN(C)CCOc1ccc(CN(CC)c2cccc(OC)c2)cc1F.Oc1ccc2c(c1)CCCC2
InChI	InChI=1S/C21H29FN2O2.C10H12O.C2H2/c1-5-23(3)12-13-26-21-11-10-17(14-20(21)22)16-24(6-2)18-8-7-9-19(15-18)25-4;11-10-6-5-8-3-1-2-4-9(8)7-10;1-2/h7-11,14-15H,5-6,12-13,16H2,1-4H3;5-7,11H,1-4H2;1-2H
InChIKey	OXCCTPJNTDGIBY-UHFFFAOYSA-N
XLogP	6.71
TPSA	45.17 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	10
Heavy Atoms	39
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.72
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of acetylene;N-ethyl-N-[[4-[2-[ethyl(methyl)amino]ethoxy]-3-fluorophenyl]methyl]-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol?

The IUPAC name of acetylene;N-ethyl-N-[[4-[2-[ethyl(methyl)amino]ethoxy]-3-fluorophenyl]methyl]-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol (CID 142915002) is acetylene;N-ethyl-N-[[4-[2-[ethyl(methyl)amino]ethoxy]-3-fluorophenyl]methyl]-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol.

What is the SMILES notation for acetylene;N-ethyl-N-[[4-[2-[ethyl(methyl)amino]ethoxy]-3-fluorophenyl]methyl]-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol?

The canonical SMILES for acetylene;N-ethyl-N-[[4-[2-[ethyl(methyl)amino]ethoxy]-3-fluorophenyl]methyl]-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol is C#C.CCN(C)CCOc1ccc(CN(CC)c2cccc(OC)c2)cc1F.Oc1ccc2c(c1)CCCC2.

What is the InChIKey of acetylene;N-ethyl-N-[[4-[2-[ethyl(methyl)amino]ethoxy]-3-fluorophenyl]methyl]-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol?

The InChIKey is OXCCTPJNTDGIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O2.C10H12O.C2H2/c1-5-23(3)12-13-26-21-11-10-17(14-20(21)22)16-24(6-2)18-8-7-9-19(15-18)25-4;11-10-6-5-8-3-1-2-4-9(8)7-10;1-2/h7-11,14-15H,5-6,12-13,16H2,1-4H3;5-7,11H,1-4H2;1-2H.

What are the key properties of acetylene;N-ethyl-N-[[4-[2-[ethyl(methyl)amino]ethoxy]-3-fluorophenyl]methyl]-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol?

acetylene;N-ethyl-N-[[4-[2-[ethyl(methyl)amino]ethoxy]-3-fluorophenyl]methyl]-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 534.72 g/mol, XLogP of 6.71, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for acetylene;N-ethyl-N-[[4-[2-[ethyl(methyl)amino]ethoxy]-3-fluorophenyl]methyl]-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 142915002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).