N-(1H-imidazol-5-ylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C15H19N3O — CID 63000969

IUPACN-(1H-imidazol-5-ylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCCC2NCc1cnc[nH]1
InChIInChI=1S/C15H19N3O/c1-19-13-5-6-14-11(7-13)3-2-4-15(14)17-9-12-8-16-10-18-12/h5-8,10,15,17H,2-4,9H2,1H3,(H,16,18)
InChIKeyIAWROMGVXPDXGW-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.59
Rot. Bonds4

About N-(1H-imidazol-5-ylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

N-(1H-imidazol-5-ylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 63000969) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID63000969
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(1H-imidazol-5-ylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCCC2NCc1cnc[nH]1
InChIInChI=1S/C15H19N3O/c1-19-13-5-6-14-11(7-13)3-2-4-15(14)17-9-12-8-16-10-18-12/h5-8,10,15,17H,2-4,9H2,1H3,(H,16,18)
InChIKeyIAWROMGVXPDXGW-UHFFFAOYSA-N
XLogP2.59
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-N-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115732237
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 3016750
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 43206577
6-methoxy-N-(2-methoxy-2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115728733
6-methoxy-N-(2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63981083
(1S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 99696414
3-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propanenitrile
CID 28728583
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,2-dimethylpropan-1-ol
CID 115359037
3-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]pentan-3-ol
CID 65105549
6-methoxy-N-(4-methoxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104628924
1-cyclopropyl-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 55172738
4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3,3-dimethylbutan-1-ol
CID 103787626

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 63000969) is N-(1H-imidazol-5-ylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)CCCC2NCc1cnc[nH]1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is IAWROMGVXPDXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-19-13-5-6-14-11(7-13)3-2-4-15(14)17-9-12-8-16-10-18-12/h5-8,10,15,17H,2-4,9H2,1H3,(H,16,18).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
N-(1H-imidazol-5-ylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 257.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 63000969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).