N-[[6-bromo-2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine

C19H20BrCl2N5O2 — CID 66543501

IUPACN-[[6-bromo-2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1c(Br)ccc(OC)c1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H20BrCl2N5O2/c1-3-8-27-19(24-25-26-27)23-10-13-14(20)5-7-17(28-2)18(13)29-11-12-4-6-15(21)16(22)9-12/h4-7,9H,3,8,10-11H2,1-2H3,(H,23,24,26)
InChIKeyGNBOACXTURWNPR-UHFFFAOYSA-N
MW501.21 g/mol
LogP5.35
Rot. Bonds9

About N-[[6-bromo-2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine

N-[[6-bromo-2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine (PubChem CID 66543501) has the molecular formula C19H20BrCl2N5O2 and a molecular weight of 501.21 g/mol. Its IUPAC name is N-[[6-bromo-2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[6-bromo-2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
PubChem CID66543501
Molecular FormulaC19H20BrCl2N5O2
Molecular Weight501.21 g/mol
Exact Mass499.02
IUPAC NameN-[[6-bromo-2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1c(Br)ccc(OC)c1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H20BrCl2N5O2/c1-3-8-27-19(24-25-26-27)23-10-13-14(20)5-7-17(28-2)18(13)29-11-12-4-6-15(21)16(22)9-12/h4-7,9H,3,8,10-11H2,1-2H3,(H,23,24,26)
InChIKeyGNBOACXTURWNPR-UHFFFAOYSA-N
XLogP5.35
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.21
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[6-bromo-2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine with MolForge

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Related Compounds

N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 66542960
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 4725619
N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-butyltetrazol-5-amine
CID 66543901
N-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine
CID 66544393
N-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 4727254
N-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 66544816
N-[[6-bromo-2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-fluoroaniline
CID 66543744
N-[[6-bromo-2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]pentan-1-amine
CID 66536990
N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 66543195
N-[[3-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-5-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 17057773
N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-methyltetrazol-5-amine
CID 66543863
N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine
CID 66543957

Frequently Asked Questions

What is the IUPAC name of N-[[6-bromo-2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine?
The IUPAC name of N-[[6-bromo-2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine (CID 66543501) is N-[[6-bromo-2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine.
What is the SMILES notation for N-[[6-bromo-2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine?
The canonical SMILES for N-[[6-bromo-2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine is CCCn1nnnc1NCc1c(Br)ccc(OC)c1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[[6-bromo-2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine?
The InChIKey is GNBOACXTURWNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrCl2N5O2/c1-3-8-27-19(24-25-26-27)23-10-13-14(20)5-7-17(28-2)18(13)29-11-12-4-6-15(21)16(22)9-12/h4-7,9H,3,8,10-11H2,1-2H3,(H,23,24,26).
What are the key properties of N-[[6-bromo-2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine?
N-[[6-bromo-2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine has a molecular weight of 501.21 g/mol, XLogP of 5.35, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-bromo-2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine is sourced from PubChem (CID 66543501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).