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

C18H18Cl3N5O — CID 39860804

IUPACN-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine
SMILESCCCn1nnc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C18H18Cl3N5O/c1-2-7-26-24-18(23-25-26)22-10-13-8-14(19)5-6-17(13)27-11-12-3-4-15(20)9-16(12)21/h3-6,8-9H,2,7,10-11H2,1H3,(H,22,24)
InChIKeyAJMDMDRVAIVLKO-UHFFFAOYSA-N
MW426.74 g/mol
LogP5.23
Rot. Bonds8

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

N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine (PubChem CID 39860804) has the molecular formula C18H18Cl3N5O and a molecular weight of 426.74 g/mol. Its IUPAC name is N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine
PubChem CID39860804
Molecular FormulaC18H18Cl3N5O
Molecular Weight426.74 g/mol
Exact Mass425.06
IUPAC NameN-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine
SMILESCCCn1nnc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C18H18Cl3N5O/c1-2-7-26-24-18(23-25-26)22-10-13-8-14(19)5-6-17(13)27-11-12-3-4-15(20)9-16(12)21/h3-6,8-9H,2,7,10-11H2,1H3,(H,22,24)
InChIKeyAJMDMDRVAIVLKO-UHFFFAOYSA-N
XLogP5.23
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.74
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-propyltetrazol-5-amine
CID 19644429
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethyltetrazol-5-amine
CID 39860820
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride
CID 17289160
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]hexan-1-amine
CID 4716843
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126119796
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]butan-2-amine;hydrochloride
CID 17291448
2,4-dichloro-N-(2-propyltetrazol-5-yl)benzamide
CID 649694
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(2-chlorophenyl)methanamine
CID 4715702
1-[2-[(2,4-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 63486921
2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]-3-methylbutanoic acid
CID 66527646
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine
CID 4723073
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-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine?
The IUPAC name of N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine (CID 39860804) is N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine.
What is the SMILES notation for N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine?
The canonical SMILES for N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine is CCCn1nnc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine?
The InChIKey is AJMDMDRVAIVLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl3N5O/c1-2-7-26-24-18(23-25-26)22-10-13-8-14(19)5-6-17(13)27-11-12-3-4-15(20)9-16(12)21/h3-6,8-9H,2,7,10-11H2,1H3,(H,22,24).
What are the key properties of N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine?
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine has a molecular weight of 426.74 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine is sourced from PubChem (CID 39860804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).