5-chloro-2-(trideuteriomethoxy)aniline

C7H8ClNO — CID 87073671

IUPAC5-chloro-2-(trideuteriomethoxy)aniline
SMILES[2H]C([2H])([2H])Oc1ccc(Cl)cc1N
InChIInChI=1S/C7H8ClNO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,9H2,1H3/i1D3
InChIKeyWBSMIPLNPSCJFS-FIBGUPNXSA-N
MW160.62 g/mol
LogP1.93
Rot. Bonds2

About 5-chloro-2-(trideuteriomethoxy)aniline

5-chloro-2-(trideuteriomethoxy)aniline (PubChem CID 87073671) has the molecular formula C7H8ClNO and a molecular weight of 160.62 g/mol. Its IUPAC name is 5-chloro-2-(trideuteriomethoxy)aniline.

Molecular Properties

Compound Name5-chloro-2-(trideuteriomethoxy)aniline
PubChem CID87073671
Molecular FormulaC7H8ClNO
Molecular Weight160.62 g/mol
Exact Mass160.05
IUPAC Name5-chloro-2-(trideuteriomethoxy)aniline
SMILES[2H]C([2H])([2H])Oc1ccc(Cl)cc1N
InChIInChI=1S/C7H8ClNO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,9H2,1H3/i1D3
InChIKeyWBSMIPLNPSCJFS-FIBGUPNXSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.62
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-methoxyaniline;hydron;chloride
CID 164511506
2,4-dichloro-1-(trideuteriomethoxy)benzene
CID 141358841
5-chloro-2-(4,6-dimethylpyrimidin-2-yl)oxyaniline
CID 43518893
5-(2,5-dichlorophenyl)-2-methoxyaniline
CID 54971472
2-(2-bromo-4-methoxyphenoxy)-5-chloroaniline
CID 113443527
5-chloro-2-[(6-methoxy-2-pyridinyl)oxy]aniline
CID 63591487
5-chloro-2-decoxyaniline
CID 55187694
5-chloro-2-(3,4-dimethoxyphenyl)aniline
CID 81274731
(2-amino-4-chlorophenyl) N,N-dimethylsulfamate
CID 23329889
5-chloro-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline
CID 19624547
5-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxyaniline
CID 79527850
5-chloro-2-(4-methylcyclohexyl)oxyaniline
CID 43094022

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(trideuteriomethoxy)aniline?
The IUPAC name of 5-chloro-2-(trideuteriomethoxy)aniline (CID 87073671) is 5-chloro-2-(trideuteriomethoxy)aniline.
What is the SMILES notation for 5-chloro-2-(trideuteriomethoxy)aniline?
The canonical SMILES for 5-chloro-2-(trideuteriomethoxy)aniline is [2H]C([2H])([2H])Oc1ccc(Cl)cc1N.
What is the InChIKey of 5-chloro-2-(trideuteriomethoxy)aniline?
The InChIKey is WBSMIPLNPSCJFS-FIBGUPNXSA-N. The full InChI is InChI=1S/C7H8ClNO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,9H2,1H3/i1D3.
What are the key properties of 5-chloro-2-(trideuteriomethoxy)aniline?
5-chloro-2-(trideuteriomethoxy)aniline has a molecular weight of 160.62 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(trideuteriomethoxy)aniline is sourced from PubChem (CID 87073671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).