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

C19H20Cl3N5O2 — CID 19644429

IUPACN-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-propyltetrazol-5-amine
SMILESCCCn1nnc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)n1
InChIInChI=1S/C19H20Cl3N5O2/c1-3-6-27-25-19(24-26-27)23-10-12-7-16(22)18(17(8-12)28-2)29-11-13-4-5-14(20)9-15(13)21/h4-5,7-9H,3,6,10-11H2,1-2H3,(H,23,25)
InChIKeyXLIIWRRMDYHBOL-UHFFFAOYSA-N
MW456.76 g/mol
LogP5.24
Rot. Bonds9

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

N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-propyltetrazol-5-amine (PubChem CID 19644429) has the molecular formula C19H20Cl3N5O2 and a molecular weight of 456.76 g/mol. Its IUPAC name is N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-propyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-propyltetrazol-5-amine
PubChem CID19644429
Molecular FormulaC19H20Cl3N5O2
Molecular Weight456.76 g/mol
Exact Mass455.07
IUPAC NameN-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-propyltetrazol-5-amine
SMILESCCCn1nnc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)n1
InChIInChI=1S/C19H20Cl3N5O2/c1-3-6-27-25-19(24-26-27)23-10-12-7-16(22)18(17(8-12)28-2)29-11-13-4-5-14(20)9-15(13)21/h4-5,7-9H,3,6,10-11H2,1-2H3,(H,23,25)
InChIKeyXLIIWRRMDYHBOL-UHFFFAOYSA-N
XLogP5.24
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.76
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine
CID 39860804
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-methyltetrazol-5-amine
CID 4727623
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-butyltetrazol-5-amine
CID 39860764
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine;hydrochloride
CID 17209702
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]pentan-1-amine;hydrochloride
CID 17291021
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17288941
[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 20986328
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332495
4-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione
CID 4726240
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155442
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclohexanamine
CID 4721628
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride
CID 17208110

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-propyltetrazol-5-amine?
The IUPAC name of N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-propyltetrazol-5-amine (CID 19644429) is N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-propyltetrazol-5-amine.
What is the SMILES notation for N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-propyltetrazol-5-amine?
The canonical SMILES for N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-propyltetrazol-5-amine is CCCn1nnc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)n1.
What is the InChIKey of N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-propyltetrazol-5-amine?
The InChIKey is XLIIWRRMDYHBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl3N5O2/c1-3-6-27-25-19(24-26-27)23-10-12-7-16(22)18(17(8-12)28-2)29-11-13-4-5-14(20)9-15(13)21/h4-5,7-9H,3,6,10-11H2,1-2H3,(H,23,25).
What are the key properties of N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-propyltetrazol-5-amine?
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-propyltetrazol-5-amine has a molecular weight of 456.76 g/mol, XLogP of 5.24, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-propyltetrazol-5-amine is sourced from PubChem (CID 19644429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).