N-[[3,5-dimethyl-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine

C14H21N5O — CID 107041105

IUPACN-[[3,5-dimethyl-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(C)c(OCc2nnn(C)n2)c(C)c1
InChIInChI=1S/C14H21N5O/c1-5-15-8-12-6-10(2)14(11(3)7-12)20-9-13-16-18-19(4)17-13/h6-7,15H,5,8-9H2,1-4H3
InChIKeyQXGFXQLMYCHVSR-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.52
Rot. Bonds6

About N-[[3,5-dimethyl-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine

N-[[3,5-dimethyl-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine (PubChem CID 107041105) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[[3,5-dimethyl-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3,5-dimethyl-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine
PubChem CID107041105
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-[[3,5-dimethyl-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(C)c(OCc2nnn(C)n2)c(C)c1
InChIInChI=1S/C14H21N5O/c1-5-15-8-12-6-10(2)14(11(3)7-12)20-9-13-16-18-19(4)17-13/h6-7,15H,5,8-9H2,1-4H3
InChIKeyQXGFXQLMYCHVSR-UHFFFAOYSA-N
XLogP1.52
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-methyl-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 107041605
N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methyl]ethanamine
CID 61497109
N-[[3,5-dimethyl-4-(2-phenylethoxy)phenyl]methyl]ethanamine
CID 43276733
[3,5-dimethoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanol
CID 107043819
N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 107045524
2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide
CID 43276717
5-[(3,5-dimethylphenoxy)methyl]-2-methyltetrazole
CID 107055235
2-methoxy-N-[[3-methyl-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 107041629
N-[[4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methyl]ethanamine
CID 63500605
N-[[4-[(4-chloro-2,6-dimethylphenoxy)methyl]phenyl]methyl]ethanamine
CID 63498001
5-[(2,3-dimethylphenoxy)methyl]-2-methyltetrazole
CID 107055284
5-[[2-bromo-4-(bromomethyl)-6-methoxyphenoxy]methyl]-2-methyltetrazole
CID 107044085

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3,5-dimethyl-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine (CID 107041105) is N-[[3,5-dimethyl-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3,5-dimethyl-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3,5-dimethyl-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine is CCNCc1cc(C)c(OCc2nnn(C)n2)c(C)c1.
What is the InChIKey of N-[[3,5-dimethyl-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is QXGFXQLMYCHVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-5-15-8-12-6-10(2)14(11(3)7-12)20-9-13-16-18-19(4)17-13/h6-7,15H,5,8-9H2,1-4H3.
What are the key properties of N-[[3,5-dimethyl-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine?
N-[[3,5-dimethyl-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 275.36 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dimethyl-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 107041105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).