N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine

C17H17BrClN5O — CID 4727502

IUPACN-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine
SMILESCCn1nnnc1NCc1cc(Br)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C17H17BrClN5O/c1-2-24-17(21-22-23-24)20-10-13-9-14(18)5-8-16(13)25-11-12-3-6-15(19)7-4-12/h3-9H,2,10-11H2,1H3,(H,20,21,23)
InChIKeyWAYADVWLHUSECZ-UHFFFAOYSA-N
MW422.71 g/mol
LogP4.30
Rot. Bonds7

About N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine

N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine (PubChem CID 4727502) has the molecular formula C17H17BrClN5O and a molecular weight of 422.71 g/mol. Its IUPAC name is N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine
PubChem CID4727502
Molecular FormulaC17H17BrClN5O
Molecular Weight422.71 g/mol
Exact Mass421.03
IUPAC NameN-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine
SMILESCCn1nnnc1NCc1cc(Br)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C17H17BrClN5O/c1-2-24-17(21-22-23-24)20-10-13-9-14(18)5-8-16(13)25-11-12-3-6-15(19)7-4-12/h3-9H,2,10-11H2,1H3,(H,20,21,23)
InChIKeyWAYADVWLHUSECZ-UHFFFAOYSA-N
XLogP4.30
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.71
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 66544816
N-[[2-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine
CID 66542061
N-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine
CID 66545060
N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-ethyltetrazol-5-amine
CID 66544536
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethyltetrazol-5-amine
CID 39860820
N-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine
CID 66540391
N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 66539665
N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 4716987
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-butyltetrazol-5-amine
CID 4725699
4-bromo-N-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]aniline
CID 126212525
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-ethyltetrazol-5-amine
CID 66543215
N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 4716319

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine?
The IUPAC name of N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine (CID 4727502) is N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine.
What is the SMILES notation for N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine?
The canonical SMILES for N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine is CCn1nnnc1NCc1cc(Br)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine?
The InChIKey is WAYADVWLHUSECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClN5O/c1-2-24-17(21-22-23-24)20-10-13-9-14(18)5-8-16(13)25-11-12-3-6-15(19)7-4-12/h3-9H,2,10-11H2,1H3,(H,20,21,23).
What are the key properties of N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine?
N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine has a molecular weight of 422.71 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine is sourced from PubChem (CID 4727502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).