N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-methyltetrazol-5-amine

C18H20ClN5O2 — CID 4727588

IUPACN-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-methyltetrazol-5-amine
SMILESCCOc1cc(CNc2nnnn2C)ccc1OCc1ccccc1Cl
InChIInChI=1S/C18H20ClN5O2/c1-3-25-17-10-13(11-20-18-21-22-23-24(18)2)8-9-16(17)26-12-14-6-4-5-7-15(14)19/h4-10H,3,11-12H2,1-2H3,(H,20,21,23)
InChIKeyVBTAIAJVYNBKCM-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.45
Rot. Bonds8

About N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-methyltetrazol-5-amine

N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-methyltetrazol-5-amine (PubChem CID 4727588) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-methyltetrazol-5-amine
PubChem CID4727588
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC NameN-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-methyltetrazol-5-amine
SMILESCCOc1cc(CNc2nnnn2C)ccc1OCc1ccccc1Cl
InChIInChI=1S/C18H20ClN5O2/c1-3-25-17-10-13(11-20-18-21-22-23-24(18)2)8-9-16(17)26-12-14-6-4-5-7-15(14)19/h4-10H,3,11-12H2,1-2H3,(H,20,21,23)
InChIKeyVBTAIAJVYNBKCM-UHFFFAOYSA-N
XLogP3.45
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylaniline
CID 126125649
N-[(2-chlorophenyl)methyl]-1-methyltetrazol-5-amine
CID 4725595
N-[[2-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-methyltetrazol-5-amine
CID 66540942
N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-methyltetrazol-5-amine
CID 66543863
N'-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-N-ethylpropane-1,3-diamine
CID 17215470
N-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 66541589
N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
CID 17290516
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727571
N-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 4727254
2-[3-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propylamino]ethanol
CID 17214095
N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66526033
N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 4725617

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-methyltetrazol-5-amine?
The IUPAC name of N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-methyltetrazol-5-amine (CID 4727588) is N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-methyltetrazol-5-amine.
What is the SMILES notation for N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-methyltetrazol-5-amine?
The canonical SMILES for N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-methyltetrazol-5-amine is CCOc1cc(CNc2nnnn2C)ccc1OCc1ccccc1Cl.
What is the InChIKey of N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-methyltetrazol-5-amine?
The InChIKey is VBTAIAJVYNBKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c1-3-25-17-10-13(11-20-18-21-22-23-24(18)2)8-9-16(17)26-12-14-6-4-5-7-15(14)19/h4-10H,3,11-12H2,1-2H3,(H,20,21,23).
What are the key properties of N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-methyltetrazol-5-amine?
N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-methyltetrazol-5-amine has a molecular weight of 373.84 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-methyltetrazol-5-amine is sourced from PubChem (CID 4727588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).