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

C18H20ClN5O2 — CID 18778269

IUPACN-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methyltetrazol-5-amine
SMILESCCOc1cc(CNc2nnn(C)n2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN5O2/c1-3-25-17-10-14(11-20-18-21-23-24(2)22-18)6-9-16(17)26-12-13-4-7-15(19)8-5-13/h4-10H,3,11-12H2,1-2H3,(H,20,22)
InChIKeyXCBVFPCHLYAKAI-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.45
Rot. Bonds8

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

N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methyltetrazol-5-amine (PubChem CID 18778269) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methyltetrazol-5-amine
PubChem CID18778269
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC NameN-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methyltetrazol-5-amine
SMILESCCOc1cc(CNc2nnn(C)n2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN5O2/c1-3-25-17-10-14(11-20-18-21-23-24(2)22-18)6-9-16(17)26-12-13-4-7-15(19)8-5-13/h4-10H,3,11-12H2,1-2H3,(H,20,22)
InChIKeyXCBVFPCHLYAKAI-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

N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 4718394
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethyltetrazol-5-amine
CID 39860820
5-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]-2-methyltetrazole
CID 107044026
(2S)-N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]butan-2-amine
CID 40726642
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]butan-1-amine
CID 4722560
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-N',N'-diethylethane-1,2-diamine
CID 4720435
4-(bromomethyl)-1-[(4-chlorophenyl)methoxy]-2-ethoxybenzene
CID 43324667
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-(4-fluorophenyl)ethanamine
CID 4718391
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]octan-1-amine
CID 4722733
(2S)-2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]butan-1-ol
CID 40726401
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride
CID 17294947
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]octan-1-amine;hydrochloride
CID 17331216

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methyltetrazol-5-amine?
The IUPAC name of N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methyltetrazol-5-amine (CID 18778269) is N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methyltetrazol-5-amine.
What is the SMILES notation for N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methyltetrazol-5-amine?
The canonical SMILES for N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methyltetrazol-5-amine is CCOc1cc(CNc2nnn(C)n2)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methyltetrazol-5-amine?
The InChIKey is XCBVFPCHLYAKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c1-3-25-17-10-14(11-20-18-21-23-24(2)22-18)6-9-16(17)26-12-13-4-7-15(19)8-5-13/h4-10H,3,11-12H2,1-2H3,(H,20,22).
What are the key properties of N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methyltetrazol-5-amine?
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-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-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methyltetrazol-5-amine is sourced from PubChem (CID 18778269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).