N-ethyl-5-[(1-methyltriazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine

C16H22N4O — CID 107041494

IUPACN-ethyl-5-[(1-methyltriazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1CCCc2c(OCc3cn(C)nn3)cccc21
InChIInChI=1S/C16H22N4O/c1-3-17-15-8-4-7-14-13(15)6-5-9-16(14)21-11-12-10-20(2)19-18-12/h5-6,9-10,15,17H,3-4,7-8,11H2,1-2H3
InChIKeyWWMZRMJQAJNQDU-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.38
Rot. Bonds5

About N-ethyl-5-[(1-methyltriazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine

N-ethyl-5-[(1-methyltriazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 107041494) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-ethyl-5-[(1-methyltriazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-ethyl-5-[(1-methyltriazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID107041494
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-ethyl-5-[(1-methyltriazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1CCCc2c(OCc3cn(C)nn3)cccc21
InChIInChI=1S/C16H22N4O/c1-3-17-15-8-4-7-14-13(15)6-5-9-16(14)21-11-12-10-20(2)19-18-12/h5-6,9-10,15,17H,3-4,7-8,11H2,1-2H3
InChIKeyWWMZRMJQAJNQDU-UHFFFAOYSA-N
XLogP2.38
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-pentoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455939
N-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 63091008
N-ethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456133
N-methyl-5-[(1-methylpyrazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82865959
5-but-3-ynoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454800
N-ethyl-5-hept-6-enoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107006227
4-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butanenitrile
CID 65454998
N-ethyl-1-[(1-methyltriazol-4-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 107040750
N-ethyl-4-(4-methoxybutoxy)-2,3-dihydro-1H-inden-1-amine
CID 104647071
2-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]propanamide
CID 65453859
N-ethyl-4-[(3-ethylimidazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 66154709
N-ethyl-1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine
CID 107040732

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(1-methyltriazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-ethyl-5-[(1-methyltriazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 107041494) is N-ethyl-5-[(1-methyltriazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-ethyl-5-[(1-methyltriazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-ethyl-5-[(1-methyltriazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine is CCNC1CCCc2c(OCc3cn(C)nn3)cccc21.
What is the InChIKey of N-ethyl-5-[(1-methyltriazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is WWMZRMJQAJNQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-17-15-8-4-7-14-13(15)6-5-9-16(14)21-11-12-10-20(2)19-18-12/h5-6,9-10,15,17H,3-4,7-8,11H2,1-2H3.
What are the key properties of N-ethyl-5-[(1-methyltriazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
N-ethyl-5-[(1-methyltriazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 286.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(1-methyltriazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 107041494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).