N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine

C11H13Cl2N5O — CID 4725593

IUPACN-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine
SMILESCCOc1c(Cl)cc(Cl)cc1CNc1nnnn1C
InChIInChI=1S/C11H13Cl2N5O/c1-3-19-10-7(4-8(12)5-9(10)13)6-14-11-15-16-17-18(11)2/h4-5H,3,6H2,1-2H3,(H,14,15,17)
InChIKeyOWWNMXQYARHEGM-UHFFFAOYSA-N
MW302.17 g/mol
LogP2.53
Rot. Bonds5

About N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine

N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine (PubChem CID 4725593) has the molecular formula C11H13Cl2N5O and a molecular weight of 302.17 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine
PubChem CID4725593
Molecular FormulaC11H13Cl2N5O
Molecular Weight302.17 g/mol
Exact Mass301.05
IUPAC NameN-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine
SMILESCCOc1c(Cl)cc(Cl)cc1CNc1nnnn1C
InChIInChI=1S/C11H13Cl2N5O/c1-3-19-10-7(4-8(12)5-9(10)13)6-14-11-15-16-17-18(11)2/h4-5H,3,6H2,1-2H3,(H,14,15,17)
InChIKeyOWWNMXQYARHEGM-UHFFFAOYSA-N
XLogP2.53
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-chloro-2-ethoxyphenyl)methyl]-1-ethyltetrazol-5-amine
CID 4725740
N-[(2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727595
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 4719581
N-(5-chloro-2-ethoxybenzyl)-1H-tetrazol-5-amine
CID 4725453
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 4727681
N-(5-chloro-2-methoxybenzyl)-1H-tetrazol-5-amine
CID 6457276
N-(5-chloro-2-ethoxybenzyl)-1-methyl-1H-tetrazol-5-amine
CID 2991150
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 4719580
N-(5-chloro-2-ethoxybenzyl)-N-(1H-1,2,4-triazol-3-yl)amine
CID 6492066
N-(3,5-dichloro-2-methoxybenzyl)-2-ethyl-2H-tetrazol-5-amine
CID 39860661
3-N-[[2-chloro-6-(2,4-dichlorophenoxy)phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine
CID 155532157
1-butyl-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazol-5-amine
CID 4725730

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine?
The IUPAC name of N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine (CID 4725593) is N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine.
What is the SMILES notation for N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine?
The canonical SMILES for N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine is CCOc1c(Cl)cc(Cl)cc1CNc1nnnn1C.
What is the InChIKey of N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine?
The InChIKey is OWWNMXQYARHEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N5O/c1-3-19-10-7(4-8(12)5-9(10)13)6-14-11-15-16-17-18(11)2/h4-5H,3,6H2,1-2H3,(H,14,15,17).
What are the key properties of N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine?
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine has a molecular weight of 302.17 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine is sourced from PubChem (CID 4725593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).