N-[(5-chloro-2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine

C11H14ClN5O — CID 2991150

IUPACN-[(5-chloro-2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine
SMILESCCOc1ccc(Cl)cc1CNc1nnnn1C
InChIInChI=1S/C11H14ClN5O/c1-3-18-10-5-4-9(12)6-8(10)7-13-11-14-15-16-17(11)2/h4-6H,3,7H2,1-2H3,(H,13,14,16)
InChIKeyUPHWMBMFEJJATF-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.87
Rot. Bonds5

About N-[(5-chloro-2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine

N-[(5-chloro-2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine (PubChem CID 2991150) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is N-[(5-chloro-2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine
PubChem CID2991150
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC NameN-[(5-chloro-2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine
SMILESCCOc1ccc(Cl)cc1CNc1nnnn1C
InChIInChI=1S/C11H14ClN5O/c1-3-18-10-5-4-9(12)6-8(10)7-13-11-14-15-16-17(11)2/h4-6H,3,7H2,1-2H3,(H,13,14,16)
InChIKeyUPHWMBMFEJJATF-UHFFFAOYSA-N
XLogP1.87
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727592
N-[(5-chloro-2-ethoxyphenyl)methyl]-1-ethyltetrazol-5-amine
CID 4725740
N-[(3-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4725757
N-[(2-ethoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 4727256
N-[(2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727595
2-(4-Chloro-2-methyl-phenoxy)-N-(1-propyl-1H-tetrazol-5-yl)-acetamide
CID 2066641
N-{5-chloro-2-[(2-fluorobenzyl)oxy]benzyl}-N-{3-[(1-methyl-1H-tetrazol-5-yl)thio]propyl}amine
CID 16014899
N-{2-[(4-chlorobenzyl)oxy]benzyl}-2-ethyl-2H-tetrazol-5-amine
CID 18778308
N-(5-chloro-2-ethoxybenzyl)-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine
CID 6485945
N-{5-chloro-2-[(4-fluorobenzyl)oxy]benzyl}-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine
CID 15943341
N-{2-[(4-fluorobenzyl)oxy]benzyl}-1-propyl-1H-tetrazol-5-amine
CID 1249569
N-[2-(benzyloxy)-5-chlorobenzyl]-N-{2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]ethyl}amine
CID 15945731

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine?
The IUPAC name of N-[(5-chloro-2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine (CID 2991150) is N-[(5-chloro-2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine.
What is the SMILES notation for N-[(5-chloro-2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine?
The canonical SMILES for N-[(5-chloro-2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine is CCOc1ccc(Cl)cc1CNc1nnnn1C.
What is the InChIKey of N-[(5-chloro-2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine?
The InChIKey is UPHWMBMFEJJATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O/c1-3-18-10-5-4-9(12)6-8(10)7-13-11-14-15-16-17(11)2/h4-6H,3,7H2,1-2H3,(H,13,14,16).
What are the key properties of N-[(5-chloro-2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine?
N-[(5-chloro-2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine has a molecular weight of 267.72 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine is sourced from PubChem (CID 2991150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).