N-benzyl-2-ethenyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine;propan-2-one

C23H29NO2 — CID 142148734

IUPACN-benzyl-2-ethenyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine;propan-2-one
SMILESC=Cc1c(OC)cc2c(c1NCc1ccccc1)CCCC2.CC(C)=O
InChIInChI=1S/C20H23NO.C3H6O/c1-3-17-19(22-2)13-16-11-7-8-12-18(16)20(17)21-14-15-9-5-4-6-10-15;1-3(2)4/h3-6,9-10,13,21H,1,7-8,11-12,14H2,2H3;1-2H3
InChIKeyICVLKDXLAGBFGW-UHFFFAOYSA-N
MW351.49 g/mol
LogP5.42
Rot. Bonds5

About N-benzyl-2-ethenyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine;propan-2-one

N-benzyl-2-ethenyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine;propan-2-one (PubChem CID 142148734) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is N-benzyl-2-ethenyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine;propan-2-one.

Molecular Properties

Compound NameN-benzyl-2-ethenyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine;propan-2-one
PubChem CID142148734
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC NameN-benzyl-2-ethenyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine;propan-2-one
SMILESC=Cc1c(OC)cc2c(c1NCc1ccccc1)CCCC2.CC(C)=O
InChIInChI=1S/C20H23NO.C3H6O/c1-3-17-19(22-2)13-16-11-7-8-12-18(16)20(17)21-14-15-9-5-4-6-10-15;1-3(2)4/h3-6,9-10,13,21H,1,7-8,11-12,14H2,2H3;1-2H3
InChIKeyICVLKDXLAGBFGW-UHFFFAOYSA-N
XLogP5.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-ethenyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine;propan-2-one?
The IUPAC name of N-benzyl-2-ethenyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine;propan-2-one (CID 142148734) is N-benzyl-2-ethenyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine;propan-2-one.
What is the SMILES notation for N-benzyl-2-ethenyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine;propan-2-one?
The canonical SMILES for N-benzyl-2-ethenyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine;propan-2-one is C=Cc1c(OC)cc2c(c1NCc1ccccc1)CCCC2.CC(C)=O.
What is the InChIKey of N-benzyl-2-ethenyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine;propan-2-one?
The InChIKey is ICVLKDXLAGBFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO.C3H6O/c1-3-17-19(22-2)13-16-11-7-8-12-18(16)20(17)21-14-15-9-5-4-6-10-15;1-3(2)4/h3-6,9-10,13,21H,1,7-8,11-12,14H2,2H3;1-2H3.
What are the key properties of N-benzyl-2-ethenyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine;propan-2-one?
N-benzyl-2-ethenyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine;propan-2-one has a molecular weight of 351.49 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-ethenyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine;propan-2-one is sourced from PubChem (CID 142148734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).