N-[1-(4-ethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine

C15H23N5O — CID 107064889

IUPACN-[1-(4-ethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nnn(C)n1)c1ccc(OCC)cc1
InChIInChI=1S/C15H23N5O/c1-4-10-16-14(11-15-17-19-20(3)18-15)12-6-8-13(9-7-12)21-5-2/h6-9,14,16H,4-5,10-11H2,1-3H3
InChIKeyUNVSZYLTWKEEGC-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.89
Rot. Bonds8

About N-[1-(4-ethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine

N-[1-(4-ethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine (PubChem CID 107064889) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
PubChem CID107064889
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-[1-(4-ethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nnn(C)n1)c1ccc(OCC)cc1
InChIInChI=1S/C15H23N5O/c1-4-10-16-14(11-15-17-19-20(3)18-15)12-6-8-13(9-7-12)21-5-2/h6-9,14,16H,4-5,10-11H2,1-3H3
InChIKeyUNVSZYLTWKEEGC-UHFFFAOYSA-N
XLogP1.89
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-methoxy-3-methylphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107050578
N-[1-(3,5-dibromophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107978041
N-[1-(3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107048347
N-[1-(4-bromo-3,5-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107051286
1-(3-ethoxyphenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048319
N-[1-(1,3-dimethylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107065029
N-[1-(5-chlorofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107065126
N-[1-(3-chloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107051471
1-(2-methyltetrazol-5-yl)-4-phenoxy-N-propylbutan-2-amine
CID 107048305
N-[1-(3-bromo-5-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107049735
N-[1-(5-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107065341
N-[1-(4-ethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105029819

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-ethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine (CID 107064889) is N-[1-(4-ethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-ethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine is CCCNC(Cc1nnn(C)n1)c1ccc(OCC)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
The InChIKey is UNVSZYLTWKEEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-4-10-16-14(11-15-17-19-20(3)18-15)12-6-8-13(9-7-12)21-5-2/h6-9,14,16H,4-5,10-11H2,1-3H3.
What are the key properties of N-[1-(4-ethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
N-[1-(4-ethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine has a molecular weight of 289.38 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 107064889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).