N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine

C18H20ClN5O2 — CID 4727469

IUPACN-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine
SMILESCCn1nnnc1NCc1cccc(OC)c1OCc1ccccc1Cl
InChIInChI=1S/C18H20ClN5O2/c1-3-24-18(21-22-23-24)20-11-13-8-6-10-16(25-2)17(13)26-12-14-7-4-5-9-15(14)19/h4-10H,3,11-12H2,1-2H3,(H,20,21,23)
InChIKeyZYDIWVZERIDMAZ-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.55
Rot. Bonds8

About N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine

N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine (PubChem CID 4727469) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine
PubChem CID4727469
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC NameN-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine
SMILESCCn1nnnc1NCc1cccc(OC)c1OCc1ccccc1Cl
InChIInChI=1S/C18H20ClN5O2/c1-3-24-18(21-22-23-24)20-11-13-8-6-10-16(25-2)17(13)26-12-14-7-4-5-9-15(14)19/h4-10H,3,11-12H2,1-2H3,(H,20,21,23)
InChIKeyZYDIWVZERIDMAZ-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-butyltetrazol-5-amine
CID 66543901
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721442
N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine
CID 66543957
N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-methyltetrazol-5-amine
CID 66543863
1-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17208009
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine;hydrochloride
CID 17333695
N-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine
CID 66540391
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]prop-2-en-1-amine;hydrochloride
CID 17291687
N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-ethyltetrazol-5-amine
CID 66544536
N-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 66541589
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724093
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-ethyltetrazol-5-amine
CID 66543215

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine?
The IUPAC name of N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine (CID 4727469) is N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine.
What is the SMILES notation for N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine?
The canonical SMILES for N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine is CCn1nnnc1NCc1cccc(OC)c1OCc1ccccc1Cl.
What is the InChIKey of N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine?
The InChIKey is ZYDIWVZERIDMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c1-3-24-18(21-22-23-24)20-11-13-8-6-10-16(25-2)17(13)26-12-14-7-4-5-9-15(14)19/h4-10H,3,11-12H2,1-2H3,(H,20,21,23).
What are the key properties of N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine?
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine has a molecular weight of 373.84 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine is sourced from PubChem (CID 4727469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).