2-(trideuteriomethoxy)aniline;hydrochloride

C7H10ClNO — CID 102565201

IUPAC2-(trideuteriomethoxy)aniline;hydrochloride
SMILESCl.[2H]C([2H])([2H])Oc1ccccc1N
InChIInChI=1S/C7H9NO.ClH/c1-9-7-5-3-2-4-6(7)8;/h2-5H,8H2,1H3;1H/i1D3;
InChIKeyXCZCWGVXRBJCCD-NIIDSAIPSA-N
MW162.63 g/mol
LogP1.70
Rot. Bonds2

About 2-(trideuteriomethoxy)aniline;hydrochloride

2-(trideuteriomethoxy)aniline;hydrochloride (PubChem CID 102565201) has the molecular formula C7H10ClNO and a molecular weight of 162.63 g/mol. Its IUPAC name is 2-(trideuteriomethoxy)aniline;hydrochloride.

Molecular Properties

Compound Name2-(trideuteriomethoxy)aniline;hydrochloride
PubChem CID102565201
Molecular FormulaC7H10ClNO
Molecular Weight162.63 g/mol
Exact Mass162.06
IUPAC Name2-(trideuteriomethoxy)aniline;hydrochloride
SMILESCl.[2H]C([2H])([2H])Oc1ccccc1N
InChIInChI=1S/C7H9NO.ClH/c1-9-7-5-3-2-4-6(7)8;/h2-5H,8H2,1H3;1H/i1D3;
InChIKeyXCZCWGVXRBJCCD-NIIDSAIPSA-N
XLogP1.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.63
LogP ≤ 51.70
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

2-methoxyaniline;dihydrochloride
CID 69020746
2-methoxyaniline;titanium;trihydrochloride
CID 174872226
N,N-dideuterio-2-methoxyaniline
CID 100982706
2-(2-aminophenoxy)peroxyaniline
CID 15807265
1-chloro-2-(trideuteriomethoxy)benzene
CID 162343627
2-methoxyaniline;4-methylaniline
CID 159047028
2-propan-2-yloxyaniline;hydrochloride
CID 24779669
2-[2-[2-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338600
2-(trideuteriomethoxy)benzonitrile
CID 155291874
2,3-dihydroxybutanedioic acid;2-methoxyaniline
CID 175318404
2-(trifluoromethoxy)aniline;dihydrochloride
CID 69022411
phenyl-[2-(trideuteriomethoxy)phenyl]methanol
CID 101015641

Frequently Asked Questions

What is the IUPAC name of 2-(trideuteriomethoxy)aniline;hydrochloride?
The IUPAC name of 2-(trideuteriomethoxy)aniline;hydrochloride (CID 102565201) is 2-(trideuteriomethoxy)aniline;hydrochloride.
What is the SMILES notation for 2-(trideuteriomethoxy)aniline;hydrochloride?
The canonical SMILES for 2-(trideuteriomethoxy)aniline;hydrochloride is Cl.[2H]C([2H])([2H])Oc1ccccc1N.
What is the InChIKey of 2-(trideuteriomethoxy)aniline;hydrochloride?
The InChIKey is XCZCWGVXRBJCCD-NIIDSAIPSA-N. The full InChI is InChI=1S/C7H9NO.ClH/c1-9-7-5-3-2-4-6(7)8;/h2-5H,8H2,1H3;1H/i1D3;.
What are the key properties of 2-(trideuteriomethoxy)aniline;hydrochloride?
2-(trideuteriomethoxy)aniline;hydrochloride has a molecular weight of 162.63 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trideuteriomethoxy)aniline;hydrochloride is sourced from PubChem (CID 102565201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).