N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-butyltetrazol-5-amine

C20H23BrClN5O2 — CID 66543901

IUPACN-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-butyltetrazol-5-amine
SMILESCCCCn1nnnc1NCc1c(Br)ccc(OC)c1OCc1ccccc1Cl
InChIInChI=1S/C20H23BrClN5O2/c1-3-4-11-27-20(24-25-26-27)23-12-15-16(21)9-10-18(28-2)19(15)29-13-14-7-5-6-8-17(14)22/h5-10H,3-4,11-13H2,1-2H3,(H,23,24,26)
InChIKeyVRNRPMTXCURHRH-UHFFFAOYSA-N
MW480.79 g/mol
LogP5.09
Rot. Bonds10

About N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-butyltetrazol-5-amine

N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-butyltetrazol-5-amine (PubChem CID 66543901) has the molecular formula C20H23BrClN5O2 and a molecular weight of 480.79 g/mol. Its IUPAC name is N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-butyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-butyltetrazol-5-amine
PubChem CID66543901
Molecular FormulaC20H23BrClN5O2
Molecular Weight480.79 g/mol
Exact Mass479.07
IUPAC NameN-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-butyltetrazol-5-amine
SMILESCCCCn1nnnc1NCc1c(Br)ccc(OC)c1OCc1ccccc1Cl
InChIInChI=1S/C20H23BrClN5O2/c1-3-4-11-27-20(24-25-26-27)23-12-15-16(21)9-10-18(28-2)19(15)29-13-14-7-5-6-8-17(14)22/h5-10H,3-4,11-13H2,1-2H3,(H,23,24,26)
InChIKeyVRNRPMTXCURHRH-UHFFFAOYSA-N
XLogP5.09
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.79
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-methyltetrazol-5-amine
CID 66543863
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 66542960
N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine
CID 66543957
N-[[6-bromo-2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 66543501
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine
CID 4727469
1-butyl-N-[(2-methoxynaphthalen-1-yl)methyl]tetrazol-5-amine
CID 4725803
N-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine
CID 66544393
N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 66543195
N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-butyltetrazol-5-amine
CID 4725663
N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-methoxypropan-1-amine
CID 66536113
1-butyl-N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]tetrazol-5-amine
CID 4725635
N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-butyltetrazol-5-amine
CID 66541744

Frequently Asked Questions

What is the IUPAC name of N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-butyltetrazol-5-amine?
The IUPAC name of N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-butyltetrazol-5-amine (CID 66543901) is N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-butyltetrazol-5-amine.
What is the SMILES notation for N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-butyltetrazol-5-amine?
The canonical SMILES for N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-butyltetrazol-5-amine is CCCCn1nnnc1NCc1c(Br)ccc(OC)c1OCc1ccccc1Cl.
What is the InChIKey of N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-butyltetrazol-5-amine?
The InChIKey is VRNRPMTXCURHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrClN5O2/c1-3-4-11-27-20(24-25-26-27)23-12-15-16(21)9-10-18(28-2)19(15)29-13-14-7-5-6-8-17(14)22/h5-10H,3-4,11-13H2,1-2H3,(H,23,24,26).
What are the key properties of N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-butyltetrazol-5-amine?
N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-butyltetrazol-5-amine has a molecular weight of 480.79 g/mol, XLogP of 5.09, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-butyltetrazol-5-amine is sourced from PubChem (CID 66543901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).