1-methoxy-3-[methyl-[1-(1-phenyltetrazol-5-yl)ethyl]amino]propan-2-ol

C14H21N5O2 — CID 111462537

IUPAC1-methoxy-3-[methyl-[1-(1-phenyltetrazol-5-yl)ethyl]amino]propan-2-ol
SMILESCOCC(O)CN(C)C(C)c1nnnn1-c1ccccc1
InChIInChI=1S/C14H21N5O2/c1-11(18(2)9-13(20)10-21-3)14-15-16-17-19(14)12-7-5-4-6-8-12/h4-8,11,13,20H,9-10H2,1-3H3
InChIKeyDLSZECNWYJWGNO-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.66
Rot. Bonds7

About 1-methoxy-3-[methyl-[1-(1-phenyltetrazol-5-yl)ethyl]amino]propan-2-ol

1-methoxy-3-[methyl-[1-(1-phenyltetrazol-5-yl)ethyl]amino]propan-2-ol (PubChem CID 111462537) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-methoxy-3-[methyl-[1-(1-phenyltetrazol-5-yl)ethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[methyl-[1-(1-phenyltetrazol-5-yl)ethyl]amino]propan-2-ol
PubChem CID111462537
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name1-methoxy-3-[methyl-[1-(1-phenyltetrazol-5-yl)ethyl]amino]propan-2-ol
SMILESCOCC(O)CN(C)C(C)c1nnnn1-c1ccccc1
InChIInChI=1S/C14H21N5O2/c1-11(18(2)9-13(20)10-21-3)14-15-16-17-19(14)12-7-5-4-6-8-12/h4-8,11,13,20H,9-10H2,1-3H3
InChIKeyDLSZECNWYJWGNO-UHFFFAOYSA-N
XLogP0.66
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[methyl-[1-(1-phenyltetrazol-5-yl)ethyl]amino]methyl]benzonitrile
CID 87016428
3-(1-phenyltetrazol-5-yl)pentan-2-ol
CID 63201375
1-[methyl-(1-phenyltetrazol-5-yl)amino]propan-2-ol
CID 62333734
1-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]propan-2-ol
CID 55061276
N-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine
CID 103710980
(1R)-1-phenyl-2-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]sulfanylethanol
CID 94824821
N-(2-hydroxy-3-methoxypropyl)-N,3,5-trimethyl-1-phenylpyrazole-4-carboxamide
CID 111695079
(2R)-1-[N-[(1-phenyltetrazol-5-yl)methyl]anilino]propan-2-ol
CID 94824316
5-(1-methylsulfonylethyl)-1-phenyltetrazole
CID 47226147
[1-(4-methoxyphenyl)tetrazol-5-yl]-[2-(1-phenyltetrazol-5-yl)ethoxy]methanol
CID 67826780
3-methoxy-2-[(1-phenyltetrazol-5-yl)amino]propanoic acid
CID 81077703
N-ethyl-3-(1-phenyltetrazol-5-yl)butan-2-amine
CID 63199558

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[methyl-[1-(1-phenyltetrazol-5-yl)ethyl]amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[methyl-[1-(1-phenyltetrazol-5-yl)ethyl]amino]propan-2-ol (CID 111462537) is 1-methoxy-3-[methyl-[1-(1-phenyltetrazol-5-yl)ethyl]amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[methyl-[1-(1-phenyltetrazol-5-yl)ethyl]amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[methyl-[1-(1-phenyltetrazol-5-yl)ethyl]amino]propan-2-ol is COCC(O)CN(C)C(C)c1nnnn1-c1ccccc1.
What is the InChIKey of 1-methoxy-3-[methyl-[1-(1-phenyltetrazol-5-yl)ethyl]amino]propan-2-ol?
The InChIKey is DLSZECNWYJWGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-11(18(2)9-13(20)10-21-3)14-15-16-17-19(14)12-7-5-4-6-8-12/h4-8,11,13,20H,9-10H2,1-3H3.
What are the key properties of 1-methoxy-3-[methyl-[1-(1-phenyltetrazol-5-yl)ethyl]amino]propan-2-ol?
1-methoxy-3-[methyl-[1-(1-phenyltetrazol-5-yl)ethyl]amino]propan-2-ol has a molecular weight of 291.35 g/mol, XLogP of 0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[methyl-[1-(1-phenyltetrazol-5-yl)ethyl]amino]propan-2-ol is sourced from PubChem (CID 111462537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).