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

C14H19N5O — CID 79239504

IUPAC7-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(NC(C)c1nn[nH]n1)CCC2
InChIInChI=1S/C14H19N5O/c1-9(14-16-18-19-17-14)15-13-5-3-4-10-6-7-11(20-2)8-12(10)13/h6-9,13,15H,3-5H2,1-2H3,(H,16,17,18,19)
InChIKeyZKGJTRNZAKXDPK-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.94
Rot. Bonds4

About 7-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

7-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 79239504) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 7-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name7-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID79239504
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name7-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(NC(C)c1nn[nH]n1)CCC2
InChIInChI=1S/C14H19N5O/c1-9(14-16-18-19-17-14)15-13-5-3-4-10-6-7-11(20-2)8-12(10)13/h6-9,13,15H,3-5H2,1-2H3,(H,16,17,18,19)
InChIKeyZKGJTRNZAKXDPK-UHFFFAOYSA-N
XLogP1.94
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103905307
2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-4-methylpentan-1-ol
CID 79238909
2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide
CID 79238997
N-[1-(5-chlorothiophen-2-yl)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79230486
N-heptan-2-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239668
7-methoxy-N-(1-methoxybutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248596
(2R)-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114986964
4-methoxy-3-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]butan-1-ol
CID 103785509
N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-2-amine
CID 79248252
N-cyclobutyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239587
6-methoxy-N-[(1R)-1-pyridin-4-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81395323
N-but-3-en-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 115727850

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 7-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 79239504) is 7-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 7-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 7-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)C(NC(C)c1nn[nH]n1)CCC2.
What is the InChIKey of 7-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is ZKGJTRNZAKXDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-9(14-16-18-19-17-14)15-13-5-3-4-10-6-7-11(20-2)8-12(10)13/h6-9,13,15H,3-5H2,1-2H3,(H,16,17,18,19).
What are the key properties of 7-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
7-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 273.34 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 79239504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).