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

C19H20BrCl2N5O2 — CID 66543195

IUPACN-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1cc(OC)c(OCc2c(Cl)cccc2Cl)cc1Br
InChIInChI=1S/C19H20BrCl2N5O2/c1-3-7-27-19(24-25-26-27)23-10-12-8-17(28-2)18(9-14(12)20)29-11-13-15(21)5-4-6-16(13)22/h4-6,8-9H,3,7,10-11H2,1-2H3,(H,23,24,26)
InChIKeyIOWDIDVZALDAKM-UHFFFAOYSA-N
MW501.21 g/mol
LogP5.35
Rot. Bonds9

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

N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-propyltetrazol-5-amine (PubChem CID 66543195) has the molecular formula C19H20BrCl2N5O2 and a molecular weight of 501.21 g/mol. Its IUPAC name is N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-propyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
PubChem CID66543195
Molecular FormulaC19H20BrCl2N5O2
Molecular Weight501.21 g/mol
Exact Mass499.02
IUPAC NameN-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1cc(OC)c(OCc2c(Cl)cccc2Cl)cc1Br
InChIInChI=1S/C19H20BrCl2N5O2/c1-3-7-27-19(24-25-26-27)23-10-12-8-17(28-2)18(9-14(12)20)29-11-13-15(21)5-4-6-16(13)22/h4-6,8-9H,3,7,10-11H2,1-2H3,(H,23,24,26)
InChIKeyIOWDIDVZALDAKM-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-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-propyltetrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-methyltetrazol-5-amine
CID 66543193
N-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 66544816
N-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 4727254
N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 66534882
N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-ethyltetrazol-5-amine
CID 66544536
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-ethyltetrazol-5-amine
CID 66543215
N-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 66542866
N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3,5-dichloroaniline
CID 66542887
N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-butyltetrazol-5-amine
CID 66541744
N-[[6-bromo-2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 66543501
N-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine
CID 66545060
N-[[2-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine
CID 66540944

Frequently Asked Questions

What is the IUPAC name of N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-propyltetrazol-5-amine?
The IUPAC name of N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-propyltetrazol-5-amine (CID 66543195) is N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-propyltetrazol-5-amine.
What is the SMILES notation for N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-propyltetrazol-5-amine?
The canonical SMILES for N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-propyltetrazol-5-amine is CCCn1nnnc1NCc1cc(OC)c(OCc2c(Cl)cccc2Cl)cc1Br.
What is the InChIKey of N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-propyltetrazol-5-amine?
The InChIKey is IOWDIDVZALDAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrCl2N5O2/c1-3-7-27-19(24-25-26-27)23-10-12-8-17(28-2)18(9-14(12)20)29-11-13-15(21)5-4-6-16(13)22/h4-6,8-9H,3,7,10-11H2,1-2H3,(H,23,24,26).
What are the key properties of N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-propyltetrazol-5-amine?
N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-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-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-propyltetrazol-5-amine is sourced from PubChem (CID 66543195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).