1-(3,5-dichloro-4-methylphenyl)-N,N-dimethylmethanamine

C10H13Cl2N — CID 70823665

IUPAC1-(3,5-dichloro-4-methylphenyl)-N,N-dimethylmethanamine
SMILESCc1c(Cl)cc(CN(C)C)cc1Cl
InChIInChI=1S/C10H13Cl2N/c1-7-9(11)4-8(5-10(7)12)6-13(2)3/h4-5H,6H2,1-3H3
InChIKeyXYAOWWPIKIUBDT-UHFFFAOYSA-N
MW218.13 g/mol
LogP3.36
Rot. Bonds2

About 1-(3,5-dichloro-4-methylphenyl)-N,N-dimethylmethanamine

1-(3,5-dichloro-4-methylphenyl)-N,N-dimethylmethanamine (PubChem CID 70823665) has the molecular formula C10H13Cl2N and a molecular weight of 218.13 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-methylphenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(3,5-dichloro-4-methylphenyl)-N,N-dimethylmethanamine
PubChem CID70823665
Molecular FormulaC10H13Cl2N
Molecular Weight218.13 g/mol
Exact Mass217.04
IUPAC Name1-(3,5-dichloro-4-methylphenyl)-N,N-dimethylmethanamine
SMILESCc1c(Cl)cc(CN(C)C)cc1Cl
InChIInChI=1S/C10H13Cl2N/c1-7-9(11)4-8(5-10(7)12)6-13(2)3/h4-5H,6H2,1-3H3
InChIKeyXYAOWWPIKIUBDT-UHFFFAOYSA-N
XLogP3.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-4-[(dimethylamino)methyl]phenol
CID 4289948
1-[3-[(dimethylamino)methyl]-5-ethyl-4-methylphenyl]-N,N-dimethylmethanamine
CID 58261025
1-(3,4-dimethyl-5-propan-2-ylphenyl)-N,N-dimethylmethanamine
CID 166055872
[3-[(dimethylamino)methyl]-5-(hydroxymethyl)phenyl]methanol
CID 67196676
3-chloro-5-[(dimethylamino)methyl]pyridine-2-carbaldehyde
CID 155338894
1-(4,6-dichloro-5-methylpyrimidin-2-yl)-N,N-dimethylmethanamine
CID 79077879
4-[(dimethylamino)methyl]-2,6-difluorophenol
CID 82977010
2,4,6-tris[(dimethylamino)methyl]phenol
CID 7026
3-chloro-5-[(dimethylamino)methyl]pyridine-2-carboxylic acid;hydrochloride
CID 155338745
[5-[(dimethylamino)methyl]-2-methyl-3-(methylaminomethyl)phenyl]methyl-trimethylazanium
CID 89473038
N-[(3-chloro-4-methylphenyl)methyl]-3-[(dimethylamino)methyl]aniline
CID 106816343
1,5-dichloro-2,3,4-trimethylbenzene
CID 21488192

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-4-methylphenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(3,5-dichloro-4-methylphenyl)-N,N-dimethylmethanamine (CID 70823665) is 1-(3,5-dichloro-4-methylphenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(3,5-dichloro-4-methylphenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(3,5-dichloro-4-methylphenyl)-N,N-dimethylmethanamine is Cc1c(Cl)cc(CN(C)C)cc1Cl.
What is the InChIKey of 1-(3,5-dichloro-4-methylphenyl)-N,N-dimethylmethanamine?
The InChIKey is XYAOWWPIKIUBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N/c1-7-9(11)4-8(5-10(7)12)6-13(2)3/h4-5H,6H2,1-3H3.
What are the key properties of 1-(3,5-dichloro-4-methylphenyl)-N,N-dimethylmethanamine?
1-(3,5-dichloro-4-methylphenyl)-N,N-dimethylmethanamine has a molecular weight of 218.13 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-4-methylphenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 70823665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).