6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C18H22N2O — CID 81393164

IUPAC6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCCC2N[C@@H](C)c1ccccn1
InChIInChI=1S/C18H22N2O/c1-13(17-7-3-4-11-19-17)20-18-8-5-6-14-12-15(21-2)9-10-16(14)18/h3-4,7,9-13,18,20H,5-6,8H2,1-2H3/t13-,18?/m0/s1
InChIKeyUHXUTIIVTRFUGO-FVRDMJKUSA-N
MW282.39 g/mol
LogP3.82
Rot. Bonds4

About 6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 81393164) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID81393164
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCCC2N[C@@H](C)c1ccccn1
InChIInChI=1S/C18H22N2O/c1-13(17-7-3-4-11-19-17)20-18-8-5-6-14-12-15(21-2)9-10-16(14)18/h3-4,7,9-13,18,20H,5-6,8H2,1-2H3/t13-,18?/m0/s1
InChIKeyUHXUTIIVTRFUGO-FVRDMJKUSA-N
XLogP3.82
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 81393164) is 6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)CCCC2N[C@@H](C)c1ccccn1.
What is the InChIKey of 6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is UHXUTIIVTRFUGO-FVRDMJKUSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13(17-7-3-4-11-19-17)20-18-8-5-6-14-12-15(21-2)9-10-16(14)18/h3-4,7,9-13,18,20H,5-6,8H2,1-2H3/t13-,18?/m0/s1.
What are the key properties of 6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 282.39 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 81393164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).