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

C13H19N5O — CID 107041605

IUPACN-[[3-methyl-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(C)c1OCc1nnn(C)n1
InChIInChI=1S/C13H19N5O/c1-4-14-8-11-7-5-6-10(2)13(11)19-9-12-15-17-18(3)16-12/h5-7,14H,4,8-9H2,1-3H3
InChIKeyXPNLUXCCDCQQDL-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.21
Rot. Bonds6

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

N-[[3-methyl-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine (PubChem CID 107041605) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[[3-methyl-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-methyl-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine
PubChem CID107041605
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-[[3-methyl-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(C)c1OCc1nnn(C)n1
InChIInChI=1S/C13H19N5O/c1-4-14-8-11-7-5-6-10(2)13(11)19-9-12-15-17-18(3)16-12/h5-7,14H,4,8-9H2,1-3H3
InChIKeyXPNLUXCCDCQQDL-UHFFFAOYSA-N
XLogP1.21
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[[3-methyl-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 107041629
N-[[3,5-dimethyl-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 107041105
N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine
CID 97179094
N-[[3-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 107041645
N-[(2-methyltetrazol-5-yl)methyl]-1-naphthalen-1-ylmethanamine
CID 107042355
N-[[3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 112609048
4-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]phenol
CID 115952579
N-[[3-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 114527280
2-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]benzonitrile
CID 115952624
5-[(2,3-dimethylphenoxy)methyl]-2-methyltetrazole
CID 107055284
N-[[2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
CID 107041124
N-[[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 112609118

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-methyl-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine (CID 107041605) is N-[[3-methyl-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-methyl-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-methyl-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine is CCNCc1cccc(C)c1OCc1nnn(C)n1.
What is the InChIKey of N-[[3-methyl-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is XPNLUXCCDCQQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-4-14-8-11-7-5-6-10(2)13(11)19-9-12-15-17-18(3)16-12/h5-7,14H,4,8-9H2,1-3H3.
What are the key properties of N-[[3-methyl-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine?
N-[[3-methyl-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 261.33 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 107041605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).