N,N-dideuterio-1-(3,4-dichlorophenyl)methanamine

C7H7Cl2N — CID 162352829

IUPACN,N-dideuterio-1-(3,4-dichlorophenyl)methanamine
SMILES[2H]N([2H])Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C7H7Cl2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2/i/hD2
InChIKeyIXHNFOOSLAWRBQ-ZSJDYOACSA-N
MW178.06 g/mol
LogP2.45
Rot. Bonds2

About N,N-dideuterio-1-(3,4-dichlorophenyl)methanamine

N,N-dideuterio-1-(3,4-dichlorophenyl)methanamine (PubChem CID 162352829) has the molecular formula C7H7Cl2N and a molecular weight of 178.06 g/mol. Its IUPAC name is N,N-dideuterio-1-(3,4-dichlorophenyl)methanamine.

Molecular Properties

Compound NameN,N-dideuterio-1-(3,4-dichlorophenyl)methanamine
PubChem CID162352829
Molecular FormulaC7H7Cl2N
Molecular Weight178.06 g/mol
Exact Mass177.01
IUPAC NameN,N-dideuterio-1-(3,4-dichlorophenyl)methanamine
SMILES[2H]N([2H])Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C7H7Cl2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2/i/hD2
InChIKeyIXHNFOOSLAWRBQ-ZSJDYOACSA-N
XLogP2.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.06
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1,5-bis(3,4-dichlorophenyl)pentan-3-one
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[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine
CID 22687493
1-(4-aminophenyl)-3-(3,4-dichlorophenyl)propan-2-one
CID 116549406
1-[2-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)propan-2-one
CID 116595878
CID 58700063
CID 58700063
1,2-dichloro-4-(hydroperoxymethyl)benzene
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1-(3,4-dichlorophenyl)-N-iodomethanamine
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Frequently Asked Questions

What is the IUPAC name of N,N-dideuterio-1-(3,4-dichlorophenyl)methanamine?
The IUPAC name of N,N-dideuterio-1-(3,4-dichlorophenyl)methanamine (CID 162352829) is N,N-dideuterio-1-(3,4-dichlorophenyl)methanamine.
What is the SMILES notation for N,N-dideuterio-1-(3,4-dichlorophenyl)methanamine?
The canonical SMILES for N,N-dideuterio-1-(3,4-dichlorophenyl)methanamine is [2H]N([2H])Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N,N-dideuterio-1-(3,4-dichlorophenyl)methanamine?
The InChIKey is IXHNFOOSLAWRBQ-ZSJDYOACSA-N. The full InChI is InChI=1S/C7H7Cl2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2/i/hD2.
What are the key properties of N,N-dideuterio-1-(3,4-dichlorophenyl)methanamine?
N,N-dideuterio-1-(3,4-dichlorophenyl)methanamine has a molecular weight of 178.06 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dideuterio-1-(3,4-dichlorophenyl)methanamine is sourced from PubChem (CID 162352829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).