N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]ethyl]propan-1-amine

C13H19N5O — CID 103084879

IUPACN-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnnn1-c1cccc(OC)c1
InChIInChI=1S/C13H19N5O/c1-4-8-14-10(2)13-15-16-17-18(13)11-6-5-7-12(9-11)19-3/h5-7,9-10,14H,4,8H2,1-3H3
InChIKeyMEDQYJCKANGMJN-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.73
Rot. Bonds6

About N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]ethyl]propan-1-amine

N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]ethyl]propan-1-amine (PubChem CID 103084879) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]ethyl]propan-1-amine
PubChem CID103084879
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnnn1-c1cccc(OC)c1
InChIInChI=1S/C13H19N5O/c1-4-8-14-10(2)13-15-16-17-18(13)11-6-5-7-12(9-11)19-3/h5-7,9-10,14H,4,8H2,1-3H3
InChIKeyMEDQYJCKANGMJN-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[1-(3-ethylphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084870
N-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine
CID 103710980
1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine
CID 103085062
1-[1-(3-methoxyphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine
CID 30311701
N-[[1-(3-methoxyphenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 55109096
N-[1-[1-(2,3-difluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085956
N-[1-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084961
1-[1-(3-bromo-4-methoxyphenyl)tetrazol-5-yl]-N-ethylethanamine
CID 103086450
N-[1-[1-(4-nitrophenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085127
N-[1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084748
1-(2-fluoro-4-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)ethyl]ethanamine
CID 75428184
(1R)-1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]ethanamine
CID 97322511

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]ethyl]propan-1-amine (CID 103084879) is N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1nnnn1-c1cccc(OC)c1.
What is the InChIKey of N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]ethyl]propan-1-amine?
The InChIKey is MEDQYJCKANGMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-4-8-14-10(2)13-15-16-17-18(13)11-6-5-7-12(9-11)19-3/h5-7,9-10,14H,4,8H2,1-3H3.
What are the key properties of N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]ethyl]propan-1-amine?
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]ethyl]propan-1-amine has a molecular weight of 261.33 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 103084879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).