3-methoxy-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine

C13H19N5O — CID 43205101

IUPAC3-methoxy-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine
SMILESCOCCCNC(C)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C13H19N5O/c1-11(14-7-4-8-19-2)12-5-3-6-13(9-12)18-10-15-16-17-18/h3,5-6,9-11,14H,4,7-8H2,1-2H3
InChIKeyOWWDWDWTPZZRDE-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.35
Rot. Bonds7

About 3-methoxy-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine

3-methoxy-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine (PubChem CID 43205101) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-methoxy-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine
PubChem CID43205101
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name3-methoxy-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine
SMILESCOCCCNC(C)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C13H19N5O/c1-11(14-7-4-8-19-2)12-5-3-6-13(9-12)18-10-15-16-17-18/h3,5-6,9-11,14H,4,7-8H2,1-2H3
InChIKeyOWWDWDWTPZZRDE-UHFFFAOYSA-N
XLogP1.35
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]butanamide
CID 60865372
2,2-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 61166998
N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pent-3-yn-1-amine
CID 116642927
N-(2-methylsulfinylethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 115720609
N-[(1-propan-2-ylcyclopropyl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 103903267
N-(2-prop-2-ynylsulfanylethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 103902546
N-(pyridin-2-ylmethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 43195693
2-hydroxy-3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]propanamide
CID 106171764
1-[3-(tetrazol-1-yl)phenyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 43204738
1-[3-(tetrazol-1-yl)phenyl]-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
CID 63830975
3-methoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81360450
N-(1,2-oxazol-5-ylmethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 106415586

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine (CID 43205101) is 3-methoxy-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine is COCCCNC(C)c1cccc(-n2cnnn2)c1.
What is the InChIKey of 3-methoxy-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine?
The InChIKey is OWWDWDWTPZZRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-11(14-7-4-8-19-2)12-5-3-6-13(9-12)18-10-15-16-17-18/h3,5-6,9-11,14H,4,7-8H2,1-2H3.
What are the key properties of 3-methoxy-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine?
3-methoxy-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine has a molecular weight of 261.33 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 43205101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).