N-ethyl-5-methoxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)aniline

C19H23NO — CID 177365057

IUPACN-ethyl-5-methoxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)aniline
SMILESCCNc1cc(OC)ccc1C1CCc2ccccc2C1
InChIInChI=1S/C19H23NO/c1-3-20-19-13-17(21-2)10-11-18(19)16-9-8-14-6-4-5-7-15(14)12-16/h4-7,10-11,13,16,20H,3,8-9,12H2,1-2H3
InChIKeyVVIWVQZPYXXQMC-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.40
Rot. Bonds4

About N-ethyl-5-methoxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)aniline

N-ethyl-5-methoxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)aniline (PubChem CID 177365057) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-ethyl-5-methoxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)aniline.

Molecular Properties

Compound NameN-ethyl-5-methoxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)aniline
PubChem CID177365057
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-ethyl-5-methoxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)aniline
SMILESCCNc1cc(OC)ccc1C1CCc2ccccc2C1
InChIInChI=1S/C19H23NO/c1-3-20-19-13-17(21-2)10-11-18(19)16-9-8-14-6-4-5-7-15(14)12-16/h4-7,10-11,13,16,20H,3,8-9,12H2,1-2H3
InChIKeyVVIWVQZPYXXQMC-UHFFFAOYSA-N
XLogP4.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methoxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)aniline?
The IUPAC name of N-ethyl-5-methoxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)aniline (CID 177365057) is N-ethyl-5-methoxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)aniline.
What is the SMILES notation for N-ethyl-5-methoxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)aniline?
The canonical SMILES for N-ethyl-5-methoxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)aniline is CCNc1cc(OC)ccc1C1CCc2ccccc2C1.
What is the InChIKey of N-ethyl-5-methoxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)aniline?
The InChIKey is VVIWVQZPYXXQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-3-20-19-13-17(21-2)10-11-18(19)16-9-8-14-6-4-5-7-15(14)12-16/h4-7,10-11,13,16,20H,3,8-9,12H2,1-2H3.
What are the key properties of N-ethyl-5-methoxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)aniline?
N-ethyl-5-methoxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)aniline has a molecular weight of 281.40 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methoxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)aniline is sourced from PubChem (CID 177365057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).