N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine

C19H22BrN5O2 — CID 66543957

IUPACN-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine
SMILESCCn1nnnc1NCc1c(Br)ccc(OC)c1OCc1ccccc1C
InChIInChI=1S/C19H22BrN5O2/c1-4-25-19(22-23-24-25)21-11-15-16(20)9-10-17(26-3)18(15)27-12-14-8-6-5-7-13(14)2/h5-10H,4,11-12H2,1-3H3,(H,21,22,24)
InChIKeyIYJNKXNKNOGHJE-UHFFFAOYSA-N
MW432.32 g/mol
LogP3.96
Rot. Bonds8

About N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine

N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine (PubChem CID 66543957) has the molecular formula C19H22BrN5O2 and a molecular weight of 432.32 g/mol. Its IUPAC name is N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine
PubChem CID66543957
Molecular FormulaC19H22BrN5O2
Molecular Weight432.32 g/mol
Exact Mass431.10
IUPAC NameN-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine
SMILESCCn1nnnc1NCc1c(Br)ccc(OC)c1OCc1ccccc1C
InChIInChI=1S/C19H22BrN5O2/c1-4-25-19(22-23-24-25)21-11-15-16(20)9-10-17(26-3)18(15)27-12-14-8-6-5-7-13(14)2/h5-10H,4,11-12H2,1-3H3,(H,21,22,24)
InChIKeyIYJNKXNKNOGHJE-UHFFFAOYSA-N
XLogP3.96
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.32
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine
CID 66544393
N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-butyltetrazol-5-amine
CID 66543901
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 66542960
N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-methyltetrazol-5-amine
CID 66543863
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine
CID 4727469
N-[[6-bromo-2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 66543501
2-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 66536642
N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine
CID 66536633
N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-3-ethoxypropan-1-amine
CID 66536655
N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-ethyltetrazol-5-amine
CID 66544536
4-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 66536692
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-ethyltetrazol-5-amine
CID 66543215

Frequently Asked Questions

What is the IUPAC name of N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine?
The IUPAC name of N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine (CID 66543957) is N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine.
What is the SMILES notation for N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine?
The canonical SMILES for N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine is CCn1nnnc1NCc1c(Br)ccc(OC)c1OCc1ccccc1C.
What is the InChIKey of N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine?
The InChIKey is IYJNKXNKNOGHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN5O2/c1-4-25-19(22-23-24-25)21-11-15-16(20)9-10-17(26-3)18(15)27-12-14-8-6-5-7-13(14)2/h5-10H,4,11-12H2,1-3H3,(H,21,22,24).
What are the key properties of N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine?
N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine has a molecular weight of 432.32 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine is sourced from PubChem (CID 66543957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).