N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-2-amine

C19H23N5O2 — CID 17206343

IUPACN-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-2-amine
SMILESCCOc1cc(CNC(C)C)ccc1Oc1nnnn1-c1ccccc1
InChIInChI=1S/C19H23N5O2/c1-4-25-18-12-15(13-20-14(2)3)10-11-17(18)26-19-21-22-23-24(19)16-8-6-5-7-9-16/h5-12,14,20H,4,13H2,1-3H3
InChIKeyZQLFCBSNNBHBHR-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.35
Rot. Bonds8

About N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-2-amine

N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-2-amine (PubChem CID 17206343) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-2-amine
PubChem CID17206343
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-2-amine
SMILESCCOc1cc(CNC(C)C)ccc1Oc1nnnn1-c1ccccc1
InChIInChI=1S/C19H23N5O2/c1-4-25-18-12-15(13-20-14(2)3)10-11-17(18)26-19-21-22-23-24(19)16-8-6-5-7-9-16/h5-12,14,20H,4,13H2,1-3H3
InChIKeyZQLFCBSNNBHBHR-UHFFFAOYSA-N
XLogP3.35
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17206314
N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]cyclopentanamine;hydrochloride
CID 17151701
N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-2-phenylethanamine
CID 17212382
N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-3,4-dimethylaniline
CID 66539046
N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-3-methoxypropan-1-amine;hydrochloride
CID 17209516
N-[(2-chlorophenyl)methyl]-1-[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methanamine
CID 17206323
N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 17212404
N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
CID 17212426
N',N'-dibutyl-N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propane-1,3-diamine
CID 17214885
2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]propanoic acid
CID 66527838
N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride
CID 17212403
2-(cyclohexen-1-yl)-N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine
CID 17210359

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-2-amine (CID 17206343) is N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-2-amine is CCOc1cc(CNC(C)C)ccc1Oc1nnnn1-c1ccccc1.
What is the InChIKey of N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-2-amine?
The InChIKey is ZQLFCBSNNBHBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-4-25-18-12-15(13-20-14(2)3)10-11-17(18)26-19-21-22-23-24(19)16-8-6-5-7-9-16/h5-12,14,20H,4,13H2,1-3H3.
What are the key properties of N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-2-amine?
N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-2-amine has a molecular weight of 353.43 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-2-amine is sourced from PubChem (CID 17206343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).