N-ethyl-7-methoxy-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine

C15H20N4O — CID 79248452

IUPACN-ethyl-7-methoxy-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1c2cc(OC)ccc2CCC1n1cncn1
InChIInChI=1S/C15H20N4O/c1-3-17-15-13-8-12(20-2)6-4-11(13)5-7-14(15)19-10-16-9-18-19/h4,6,8-10,14-15,17H,3,5,7H2,1-2H3
InChIKeyHBDKNCLRJNAEAU-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.12
Rot. Bonds4

About N-ethyl-7-methoxy-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine

N-ethyl-7-methoxy-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 79248452) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-ethyl-7-methoxy-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-ethyl-7-methoxy-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID79248452
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-ethyl-7-methoxy-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1c2cc(OC)ccc2CCC1n1cncn1
InChIInChI=1S/C15H20N4O/c1-3-17-15-13-8-12(20-2)6-4-11(13)5-7-14(15)19-10-16-9-18-19/h4,6,8-10,14-15,17H,3,5,7H2,1-2H3
InChIKeyHBDKNCLRJNAEAU-UHFFFAOYSA-N
XLogP2.12
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248528
6-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 79375175
[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
CID 79248721
N-ethyl-6-methoxy-2-(2-methylpyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 79374745
methyl 2-[[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]acetate
CID 79236632
2-(2,2-difluoroethoxy)-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82003829
N-ethyl-7-methoxy-2-(3-methoxypropoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79235470
N-ethyl-6-methoxy-2-(3-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 79370488
N-ethyl-2-ethylsulfanyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79368198
N-ethyl-7-methoxy-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106927379
N-ethyl-6-methoxy-2-propylsulfonyl-2,3-dihydro-1H-inden-1-amine
CID 79375167
3-[[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]-2-methylpropan-1-ol
CID 79237319

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-methoxy-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-ethyl-7-methoxy-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 79248452) is N-ethyl-7-methoxy-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-ethyl-7-methoxy-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-ethyl-7-methoxy-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine is CCNC1c2cc(OC)ccc2CCC1n1cncn1.
What is the InChIKey of N-ethyl-7-methoxy-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is HBDKNCLRJNAEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-17-15-13-8-12(20-2)6-4-11(13)5-7-14(15)19-10-16-9-18-19/h4,6,8-10,14-15,17H,3,5,7H2,1-2H3.
What are the key properties of N-ethyl-7-methoxy-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-ethyl-7-methoxy-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 272.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-methoxy-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 79248452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).