N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethyltetrazol-5-amine

C17H17Cl2N5O — CID 39860820

IUPACN-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethyltetrazol-5-amine
SMILESCCn1nnc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H17Cl2N5O/c1-2-24-22-17(21-23-24)20-10-13-9-15(19)7-8-16(13)25-11-12-3-5-14(18)6-4-12/h3-9H,2,10-11H2,1H3,(H,20,22)
InChIKeyODSADWQCAKGOEO-UHFFFAOYSA-N
MW378.26 g/mol
LogP4.19
Rot. Bonds7

About N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethyltetrazol-5-amine

N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethyltetrazol-5-amine (PubChem CID 39860820) has the molecular formula C17H17Cl2N5O and a molecular weight of 378.26 g/mol. Its IUPAC name is N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethyltetrazol-5-amine
PubChem CID39860820
Molecular FormulaC17H17Cl2N5O
Molecular Weight378.26 g/mol
Exact Mass377.08
IUPAC NameN-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethyltetrazol-5-amine
SMILESCCn1nnc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H17Cl2N5O/c1-2-24-22-17(21-23-24)20-10-13-9-15(19)7-8-16(13)25-11-12-3-5-14(18)6-4-12/h3-9H,2,10-11H2,1H3,(H,20,22)
InChIKeyODSADWQCAKGOEO-UHFFFAOYSA-N
XLogP4.19
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine
CID 39860804
N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine
CID 4727502
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylbutan-2-amine
CID 17210867
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methyltetrazol-5-amine
CID 18778269
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126124035
N-[[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methyl]ethanamine
CID 63500792
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-butyltetrazol-5-amine
CID 39860764
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17055704
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126123799
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
CID 4716552
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290821
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-3-methylaniline
CID 126124166

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethyltetrazol-5-amine?
The IUPAC name of N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethyltetrazol-5-amine (CID 39860820) is N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethyltetrazol-5-amine.
What is the SMILES notation for N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethyltetrazol-5-amine?
The canonical SMILES for N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethyltetrazol-5-amine is CCn1nnc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2)n1.
What is the InChIKey of N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethyltetrazol-5-amine?
The InChIKey is ODSADWQCAKGOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N5O/c1-2-24-22-17(21-23-24)20-10-13-9-15(19)7-8-16(13)25-11-12-3-5-14(18)6-4-12/h3-9H,2,10-11H2,1H3,(H,20,22).
What are the key properties of N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethyltetrazol-5-amine?
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethyltetrazol-5-amine has a molecular weight of 378.26 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethyltetrazol-5-amine is sourced from PubChem (CID 39860820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).