N-ethyl-4-(4-methoxyphenyl)-1-(2-methyltetrazol-5-yl)butan-2-amine

C15H23N5O — CID 107065191

IUPACN-ethyl-4-(4-methoxyphenyl)-1-(2-methyltetrazol-5-yl)butan-2-amine
SMILESCCNC(CCc1ccc(OC)cc1)Cc1nnn(C)n1
InChIInChI=1S/C15H23N5O/c1-4-16-13(11-15-17-19-20(2)18-15)8-5-12-6-9-14(21-3)10-7-12/h6-7,9-10,13,16H,4-5,8,11H2,1-3H3
InChIKeyVRZNCXJXWIMUGG-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.37
Rot. Bonds8

About N-ethyl-4-(4-methoxyphenyl)-1-(2-methyltetrazol-5-yl)butan-2-amine

N-ethyl-4-(4-methoxyphenyl)-1-(2-methyltetrazol-5-yl)butan-2-amine (PubChem CID 107065191) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-ethyl-4-(4-methoxyphenyl)-1-(2-methyltetrazol-5-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-methoxyphenyl)-1-(2-methyltetrazol-5-yl)butan-2-amine
PubChem CID107065191
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-ethyl-4-(4-methoxyphenyl)-1-(2-methyltetrazol-5-yl)butan-2-amine
SMILESCCNC(CCc1ccc(OC)cc1)Cc1nnn(C)n1
InChIInChI=1S/C15H23N5O/c1-4-16-13(11-15-17-19-20(2)18-15)8-5-12-6-9-14(21-3)10-7-12/h6-7,9-10,13,16H,4-5,8,11H2,1-3H3
InChIKeyVRZNCXJXWIMUGG-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107048734
N-ethyl-1-(2-methyltetrazol-5-yl)-4-phenoxybutan-2-amine
CID 107048302
1-(2-methyltetrazol-5-yl)-4-phenyl-N-propylbutan-2-amine
CID 107048747
1-(2-methyltetrazol-5-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine
CID 107065461
N-ethyl-1-(2-methyltetrazol-5-yl)-3-pyridin-4-ylpropan-2-amine
CID 107048946
N-ethyl-1-(2-methyltetrazol-5-yl)-3-phenoxypropan-2-amine
CID 107048963
[4-(4-methylphenyl)-1-(2-methyltetrazol-5-yl)butan-2-yl]hydrazine
CID 107066767
1-ethoxy-N-ethyl-5-(4-methoxyphenyl)pentan-3-amine
CID 105152339
N-ethyl-1-(2-methyltetrazol-5-yl)-3-thiophen-3-ylpropan-2-amine
CID 107065100
N-ethyl-4-(4-methoxyphenyl)-1-propan-2-ylsulfanylbutan-2-amine
CID 65445532
4-(4-methoxyphenyl)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107063943
N-ethyl-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-amine
CID 107049227

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-methoxyphenyl)-1-(2-methyltetrazol-5-yl)butan-2-amine?
The IUPAC name of N-ethyl-4-(4-methoxyphenyl)-1-(2-methyltetrazol-5-yl)butan-2-amine (CID 107065191) is N-ethyl-4-(4-methoxyphenyl)-1-(2-methyltetrazol-5-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-4-(4-methoxyphenyl)-1-(2-methyltetrazol-5-yl)butan-2-amine?
The canonical SMILES for N-ethyl-4-(4-methoxyphenyl)-1-(2-methyltetrazol-5-yl)butan-2-amine is CCNC(CCc1ccc(OC)cc1)Cc1nnn(C)n1.
What is the InChIKey of N-ethyl-4-(4-methoxyphenyl)-1-(2-methyltetrazol-5-yl)butan-2-amine?
The InChIKey is VRZNCXJXWIMUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-4-16-13(11-15-17-19-20(2)18-15)8-5-12-6-9-14(21-3)10-7-12/h6-7,9-10,13,16H,4-5,8,11H2,1-3H3.
What are the key properties of N-ethyl-4-(4-methoxyphenyl)-1-(2-methyltetrazol-5-yl)butan-2-amine?
N-ethyl-4-(4-methoxyphenyl)-1-(2-methyltetrazol-5-yl)butan-2-amine has a molecular weight of 289.38 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-methoxyphenyl)-1-(2-methyltetrazol-5-yl)butan-2-amine is sourced from PubChem (CID 107065191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).