N-ethyl-1-(2-methyltetrazol-5-yl)-3-phenoxypropan-2-amine

C13H19N5O — CID 107048963

IUPACN-ethyl-1-(2-methyltetrazol-5-yl)-3-phenoxypropan-2-amine
SMILESCCNC(COc1ccccc1)Cc1nnn(C)n1
InChIInChI=1S/C13H19N5O/c1-3-14-11(9-13-15-17-18(2)16-13)10-19-12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3
InChIKeyYPMOEVDGJFCPAQ-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.81
Rot. Bonds7

About N-ethyl-1-(2-methyltetrazol-5-yl)-3-phenoxypropan-2-amine

N-ethyl-1-(2-methyltetrazol-5-yl)-3-phenoxypropan-2-amine (PubChem CID 107048963) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-ethyl-1-(2-methyltetrazol-5-yl)-3-phenoxypropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methyltetrazol-5-yl)-3-phenoxypropan-2-amine
PubChem CID107048963
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-ethyl-1-(2-methyltetrazol-5-yl)-3-phenoxypropan-2-amine
SMILESCCNC(COc1ccccc1)Cc1nnn(C)n1
InChIInChI=1S/C13H19N5O/c1-3-14-11(9-13-15-17-18(2)16-13)10-19-12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3
InChIKeyYPMOEVDGJFCPAQ-UHFFFAOYSA-N
XLogP0.81
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 ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-ethyl-1-(2-methyltetrazol-5-yl)-3-phenoxypropan-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-phenoxy-N-propylbutan-2-amine
CID 107048305
N-ethyl-4-(4-methoxyphenyl)-1-(2-methyltetrazol-5-yl)butan-2-amine
CID 107065191
N-ethyl-1-(2-methyltetrazol-5-yl)-3-pyridin-4-ylpropan-2-amine
CID 107048946
1-(2-methyltetrazol-5-yl)-4-phenyl-N-propylbutan-2-amine
CID 107048747
1-(2-chlorophenyl)sulfanyl-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049697
N-ethyl-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-amine
CID 107049227
N-ethyl-1-phenoxy-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79751880
N-ethyl-1-(2-methyltetrazol-5-yl)-3-thiophen-3-ylpropan-2-amine
CID 107065100
N-ethyl-1-(1-ethylimidazol-2-yl)-3-phenoxypropan-2-amine
CID 79751835
N-ethyl-1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048584
N-ethyl-1-(4-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049659

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methyltetrazol-5-yl)-3-phenoxypropan-2-amine?
The IUPAC name of N-ethyl-1-(2-methyltetrazol-5-yl)-3-phenoxypropan-2-amine (CID 107048963) is N-ethyl-1-(2-methyltetrazol-5-yl)-3-phenoxypropan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-methyltetrazol-5-yl)-3-phenoxypropan-2-amine?
The canonical SMILES for N-ethyl-1-(2-methyltetrazol-5-yl)-3-phenoxypropan-2-amine is CCNC(COc1ccccc1)Cc1nnn(C)n1.
What is the InChIKey of N-ethyl-1-(2-methyltetrazol-5-yl)-3-phenoxypropan-2-amine?
The InChIKey is YPMOEVDGJFCPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-3-14-11(9-13-15-17-18(2)16-13)10-19-12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3.
What are the key properties of N-ethyl-1-(2-methyltetrazol-5-yl)-3-phenoxypropan-2-amine?
N-ethyl-1-(2-methyltetrazol-5-yl)-3-phenoxypropan-2-amine has a molecular weight of 261.33 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methyltetrazol-5-yl)-3-phenoxypropan-2-amine is sourced from PubChem (CID 107048963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).