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

C24H25N5O2 — CID 17212382

IUPACN-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-2-phenylethanamine
SMILESCCOc1cc(CNCCc2ccccc2)ccc1Oc1nnnn1-c1ccccc1
InChIInChI=1S/C24H25N5O2/c1-2-30-23-17-20(18-25-16-15-19-9-5-3-6-10-19)13-14-22(23)31-24-26-27-28-29(24)21-11-7-4-8-12-21/h3-14,17,25H,2,15-16,18H2,1H3
InChIKeyMTVFOVQOCIHFDS-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.19
Rot. Bonds10

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

N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-2-phenylethanamine (PubChem CID 17212382) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-2-phenylethanamine
PubChem CID17212382
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC NameN-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-2-phenylethanamine
SMILESCCOc1cc(CNCCc2ccccc2)ccc1Oc1nnnn1-c1ccccc1
InChIInChI=1S/C24H25N5O2/c1-2-30-23-17-20(18-25-16-15-19-9-5-3-6-10-19)13-14-22(23)31-24-26-27-28-29(24)21-11-7-4-8-12-21/h3-14,17,25H,2,15-16,18H2,1H3
InChIKeyMTVFOVQOCIHFDS-UHFFFAOYSA-N
XLogP4.19
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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]-2-(2-fluorophenyl)ethanamine
CID 17212404
N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride
CID 17212403
N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-3-methoxypropan-1-amine;hydrochloride
CID 17209516
2-(cyclohexen-1-yl)-N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine
CID 17210359
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
N-[(2-chlorophenyl)methyl]-1-[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methanamine
CID 17206323
2-(4-methoxyphenyl)-N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine;hydrochloride
CID 17212453
N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-2-amine
CID 17206343
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]cyclopentanamine;hydrochloride
CID 17151701

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-2-phenylethanamine?
The IUPAC name of N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-2-phenylethanamine (CID 17212382) is N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-2-phenylethanamine.
What is the SMILES notation for N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-2-phenylethanamine?
The canonical SMILES for N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-2-phenylethanamine is CCOc1cc(CNCCc2ccccc2)ccc1Oc1nnnn1-c1ccccc1.
What is the InChIKey of N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-2-phenylethanamine?
The InChIKey is MTVFOVQOCIHFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-2-30-23-17-20(18-25-16-15-19-9-5-3-6-10-19)13-14-22(23)31-24-26-27-28-29(24)21-11-7-4-8-12-21/h3-14,17,25H,2,15-16,18H2,1H3.
What are the key properties of N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-2-phenylethanamine?
N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-2-phenylethanamine has a molecular weight of 415.50 g/mol, XLogP of 4.19, 10 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]-2-phenylethanamine is sourced from PubChem (CID 17212382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).