7-methoxy-N-(1-pyridin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C18H22N2O — CID 115510289

IUPAC7-methoxy-N-(1-pyridin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(NC(C)c1ccncc1)CC2
InChIInChI=1S/C18H22N2O/c1-13(14-7-9-19-10-8-14)20-17-5-3-15-4-6-18(21-2)12-16(15)11-17/h4,6-10,12-13,17,20H,3,5,11H2,1-2H3
InChIKeyPNPBPYFXPQKZKG-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.30
Rot. Bonds4

About 7-methoxy-N-(1-pyridin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

7-methoxy-N-(1-pyridin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 115510289) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 7-methoxy-N-(1-pyridin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name7-methoxy-N-(1-pyridin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID115510289
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name7-methoxy-N-(1-pyridin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(NC(C)c1ccncc1)CC2
InChIInChI=1S/C18H22N2O/c1-13(14-7-9-19-10-8-14)20-17-5-3-15-4-6-18(21-2)12-16(15)11-17/h4,6-10,12-13,17,20H,3,5,11H2,1-2H3
InChIKeyPNPBPYFXPQKZKG-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 103905252
7-methoxy-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510216
7-methoxy-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510335
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81367851
N-[(1S)-1-cyclohexylethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510632
6-methoxy-N-[(1R)-1-pyridin-4-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81395323
7-methoxy-N-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510559
7-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510447
7-methoxy-N-(1-methylsulfanylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115901665
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-amine
CID 97107115
7-methoxy-N-[(4-methyl-3-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 114955055
3-(3-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine
CID 43634110

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(1-pyridin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 7-methoxy-N-(1-pyridin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 115510289) is 7-methoxy-N-(1-pyridin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 7-methoxy-N-(1-pyridin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 7-methoxy-N-(1-pyridin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is COc1ccc2c(c1)CC(NC(C)c1ccncc1)CC2.
What is the InChIKey of 7-methoxy-N-(1-pyridin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is PNPBPYFXPQKZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13(14-7-9-19-10-8-14)20-17-5-3-15-4-6-18(21-2)12-16(15)11-17/h4,6-10,12-13,17,20H,3,5,11H2,1-2H3.
What are the key properties of 7-methoxy-N-(1-pyridin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
7-methoxy-N-(1-pyridin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 282.39 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(1-pyridin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 115510289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).