1-(3,4-dichlorophenyl)-N,N-dimethylmethanamine

C9H11Cl2N — CID 22174128

IUPAC1-(3,4-dichlorophenyl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H11Cl2N/c1-12(2)6-7-3-4-8(10)9(11)5-7/h3-5H,6H2,1-2H3
InChIKeyIYUNVIWIRATEJF-UHFFFAOYSA-N
MW204.10 g/mol
LogP3.06
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-N,N-dimethylmethanamine

1-(3,4-dichlorophenyl)-N,N-dimethylmethanamine (PubChem CID 22174128) has the molecular formula C9H11Cl2N and a molecular weight of 204.10 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N,N-dimethylmethanamine
PubChem CID22174128
Molecular FormulaC9H11Cl2N
Molecular Weight204.10 g/mol
Exact Mass203.03
IUPAC Name1-(3,4-dichlorophenyl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H11Cl2N/c1-12(2)6-7-3-4-8(10)9(11)5-7/h3-5H,6H2,1-2H3
InChIKeyIYUNVIWIRATEJF-UHFFFAOYSA-N
XLogP3.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.10
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N,N-dimethylmethanamine (CID 22174128) is 1-(3,4-dichlorophenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N,N-dimethylmethanamine is CN(C)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N,N-dimethylmethanamine?
The InChIKey is IYUNVIWIRATEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N/c1-12(2)6-7-3-4-8(10)9(11)5-7/h3-5H,6H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N,N-dimethylmethanamine?
1-(3,4-dichlorophenyl)-N,N-dimethylmethanamine has a molecular weight of 204.10 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 22174128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).