1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]tetrazol-5-amine

C16H15Cl2N5O — CID 68583696

IUPAC1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]tetrazol-5-amine
SMILESCOc1cccc([C@@H](C)Nc2nnnn2-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C16H15Cl2N5O/c1-10(11-5-3-6-12(9-11)24-2)19-16-20-21-22-23(16)14-8-4-7-13(17)15(14)18/h3-10H,1-2H3,(H,19,20,22)/t10-/m1/s1
InChIKeyZZQOZYCBRNYLGR-SNVBAGLBSA-N
MW364.24 g/mol
LogP4.15
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]tetrazol-5-amine

1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]tetrazol-5-amine (PubChem CID 68583696) has the molecular formula C16H15Cl2N5O and a molecular weight of 364.24 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]tetrazol-5-amine
PubChem CID68583696
Molecular FormulaC16H15Cl2N5O
Molecular Weight364.24 g/mol
Exact Mass363.07
IUPAC Name1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]tetrazol-5-amine
SMILESCOc1cccc([C@@H](C)Nc2nnnn2-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C16H15Cl2N5O/c1-10(11-5-3-6-12(9-11)24-2)19-16-20-21-22-23(16)14-8-4-7-13(17)15(14)18/h3-10H,1-2H3,(H,19,20,22)/t10-/m1/s1
InChIKeyZZQOZYCBRNYLGR-SNVBAGLBSA-N
XLogP4.15
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43108106
N-[1-(3-chlorophenyl)ethyl]-1-phenyltetrazol-5-amine
CID 42909642
2-chloro-4-[1-(3-methoxyphenyl)ethylamino]benzamide
CID 43736525
1-[1-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine
CID 103084945
N-[1-(3-bromophenyl)ethyl]-1-phenyltetrazol-5-amine
CID 60746209
2-chloro-5-[1-(3-methoxyphenyl)ethylamino]benzonitrile
CID 43686946
N-[(2-chloro-6-methylphenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine
CID 68582363
N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenyltetrazol-5-amine
CID 40813669
1-(2,3-dichlorophenyl)-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]tetrazol-5-amine
CID 11704714
2-chloro-N-[1-(3-methoxyphenyl)ethyl]-4-methylpyridin-3-amine
CID 65483939
1-N-[1-(3-methoxyphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43616993
(1R)-N-[(3,4-dichlorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376275

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]tetrazol-5-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]tetrazol-5-amine (CID 68583696) is 1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]tetrazol-5-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]tetrazol-5-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]tetrazol-5-amine is COc1cccc([C@@H](C)Nc2nnnn2-c2cccc(Cl)c2Cl)c1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]tetrazol-5-amine?
The InChIKey is ZZQOZYCBRNYLGR-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15Cl2N5O/c1-10(11-5-3-6-12(9-11)24-2)19-16-20-21-22-23(16)14-8-4-7-13(17)15(14)18/h3-10H,1-2H3,(H,19,20,22)/t10-/m1/s1.
What are the key properties of 1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]tetrazol-5-amine?
1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]tetrazol-5-amine has a molecular weight of 364.24 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]tetrazol-5-amine is sourced from PubChem (CID 68583696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).