7-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C18H22N2O — CID 79230515

IUPAC7-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(NCc1ncccc1C)CCC2
InChIInChI=1S/C18H22N2O/c1-13-5-4-10-19-18(13)12-20-17-7-3-6-14-8-9-15(21-2)11-16(14)17/h4-5,8-11,17,20H,3,6-7,12H2,1-2H3
InChIKeyABAIRNHTRGMBGK-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.57
Rot. Bonds4

About 7-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

7-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 79230515) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 7-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name7-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID79230515
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name7-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(NCc1ncccc1C)CCC2
InChIInChI=1S/C18H22N2O/c1-13-5-4-10-19-18(13)12-20-17-7-3-6-14-8-9-15(21-2)11-16(14)17/h4-5,8-11,17,20H,3,6-7,12H2,1-2H3
InChIKeyABAIRNHTRGMBGK-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79231019
N-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79240006
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpyridin-3-amine
CID 79248518
N-[(4-bromothiophen-2-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248439
N-(furan-3-ylmethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115674094
N-cyclobutyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239587
5-[(3-methyl-2-pyridinyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108446
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 79239077
7-methoxy-N-[(1-methylcyclobutyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103903212
N-(2-bromoprop-2-enyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113261175
N-cyclohexyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239408
6-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 79366862

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 7-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 79230515) is 7-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 7-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 7-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)C(NCc1ncccc1C)CCC2.
What is the InChIKey of 7-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is ABAIRNHTRGMBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-5-4-10-19-18(13)12-20-17-7-3-6-14-8-9-15(21-2)11-16(14)17/h4-5,8-11,17,20H,3,6-7,12H2,1-2H3.
What are the key properties of 7-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
7-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 282.39 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 79230515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).