1-(2-methyltetrazol-5-yl)-4-phenoxy-N-propylbutan-2-amine

C15H23N5O — CID 107048305

IUPAC1-(2-methyltetrazol-5-yl)-4-phenoxy-N-propylbutan-2-amine
SMILESCCCNC(CCOc1ccccc1)Cc1nnn(C)n1
InChIInChI=1S/C15H23N5O/c1-3-10-16-13(12-15-17-19-20(2)18-15)9-11-21-14-7-5-4-6-8-14/h4-8,13,16H,3,9-12H2,1-2H3
InChIKeyDYRWVWLFXFUDCR-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.59
Rot. Bonds9

About 1-(2-methyltetrazol-5-yl)-4-phenoxy-N-propylbutan-2-amine

1-(2-methyltetrazol-5-yl)-4-phenoxy-N-propylbutan-2-amine (PubChem CID 107048305) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(2-methyltetrazol-5-yl)-4-phenoxy-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(2-methyltetrazol-5-yl)-4-phenoxy-N-propylbutan-2-amine
PubChem CID107048305
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name1-(2-methyltetrazol-5-yl)-4-phenoxy-N-propylbutan-2-amine
SMILESCCCNC(CCOc1ccccc1)Cc1nnn(C)n1
InChIInChI=1S/C15H23N5O/c1-3-10-16-13(12-15-17-19-20(2)18-15)9-11-21-14-7-5-4-6-8-14/h4-8,13,16H,3,9-12H2,1-2H3
InChIKeyDYRWVWLFXFUDCR-UHFFFAOYSA-N
XLogP1.59
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-methyltetrazol-5-yl)-4-phenoxy-N-propylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-ethyl-1-(2-methyltetrazol-5-yl)-3-phenoxypropan-2-amine
CID 107048963
1-(2-methyltetrazol-5-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine
CID 107065461
1-(2-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine
CID 107049689
N-[1-(4-ethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107064889
1-phenoxy-N-propylnonan-3-amine
CID 63414499
6,6,6-trifluoro-1-phenoxy-N-propylhexan-3-amine
CID 64568024
1-(1-methylpyrazol-3-yl)-3-phenoxy-N-propylpropan-1-amine
CID 103130748
3-(2-methyltetrazol-5-yl)-2-phenyl-N-propylpropan-1-amine
CID 107053280
1-cyclohexyl-4-phenoxy-N-propylbutan-2-amine
CID 63414368
N-ethyl-4-(4-methoxyphenyl)-1-(2-methyltetrazol-5-yl)butan-2-amine
CID 107065191

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyltetrazol-5-yl)-4-phenoxy-N-propylbutan-2-amine?
The IUPAC name of 1-(2-methyltetrazol-5-yl)-4-phenoxy-N-propylbutan-2-amine (CID 107048305) is 1-(2-methyltetrazol-5-yl)-4-phenoxy-N-propylbutan-2-amine.
What is the SMILES notation for 1-(2-methyltetrazol-5-yl)-4-phenoxy-N-propylbutan-2-amine?
The canonical SMILES for 1-(2-methyltetrazol-5-yl)-4-phenoxy-N-propylbutan-2-amine is CCCNC(CCOc1ccccc1)Cc1nnn(C)n1.
What is the InChIKey of 1-(2-methyltetrazol-5-yl)-4-phenoxy-N-propylbutan-2-amine?
The InChIKey is DYRWVWLFXFUDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-3-10-16-13(12-15-17-19-20(2)18-15)9-11-21-14-7-5-4-6-8-14/h4-8,13,16H,3,9-12H2,1-2H3.
What are the key properties of 1-(2-methyltetrazol-5-yl)-4-phenoxy-N-propylbutan-2-amine?
1-(2-methyltetrazol-5-yl)-4-phenoxy-N-propylbutan-2-amine has a molecular weight of 289.38 g/mol, XLogP of 1.59, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyltetrazol-5-yl)-4-phenoxy-N-propylbutan-2-amine is sourced from PubChem (CID 107048305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).