3-methoxy-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylpropan-1-amine

C14H21N5O — CID 103227465

IUPAC3-methoxy-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylpropan-1-amine
SMILESCOCC(CNC(C)C)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H21N5O/c1-11(2)15-9-13(10-20-3)19-17-14(16-18-19)12-7-5-4-6-8-12/h4-8,11,13,15H,9-10H2,1-3H3
InChIKeyAYBKWRPLXFCOIG-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.53
Rot. Bonds7

About 3-methoxy-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylpropan-1-amine

3-methoxy-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 103227465) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 3-methoxy-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylpropan-1-amine
PubChem CID103227465
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name3-methoxy-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylpropan-1-amine
SMILESCOCC(CNC(C)C)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H21N5O/c1-11(2)15-9-13(10-20-3)19-17-14(16-18-19)12-7-5-4-6-8-12/h4-8,11,13,15H,9-10H2,1-3H3
InChIKeyAYBKWRPLXFCOIG-UHFFFAOYSA-N
XLogP1.53
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(5-phenyltetrazol-2-yl)butanoate
CID 43536415
N-[2-(5-phenyltetrazol-2-yl)ethyl]propan-2-amine
CID 55070699
N-methyl-2-phenyl-2-(5-phenyltetrazol-2-yl)ethanamine
CID 62448473
2-methyl-3-(5-phenyltetrazol-2-yl)butan-1-amine
CID 79409199
N-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119504464
(3S)-3-(5-phenyltetrazol-2-yl)heptan-1-ol
CID 102325180
4-methoxy-3-methyl-2-phenyl-N-propan-2-ylbutan-1-amine
CID 113473075
1-(2-methoxyethylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 115475590
2-(1-butoxybutyl)-5-phenyltetrazole
CID 132568651
N-(1-amino-4-methylpentan-2-yl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119588881
N-[3-(methylamino)propyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 119434349
2-(5-phenyltetrazol-2-yl)butanehydrazide
CID 63573923

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-methoxy-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylpropan-1-amine (CID 103227465) is 3-methoxy-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-methoxy-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-methoxy-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylpropan-1-amine is COCC(CNC(C)C)n1nnc(-c2ccccc2)n1.
What is the InChIKey of 3-methoxy-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is AYBKWRPLXFCOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-11(2)15-9-13(10-20-3)19-17-14(16-18-19)12-7-5-4-6-8-12/h4-8,11,13,15H,9-10H2,1-3H3.
What are the key properties of 3-methoxy-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylpropan-1-amine?
3-methoxy-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 275.36 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 103227465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).