3-(3,5-dichloro-2-methoxy-4,6-dimethylphenyl)-N,N-dimethylpropan-1-amine

C14H21Cl2NO — CID 170866556

IUPAC3-(3,5-dichloro-2-methoxy-4,6-dimethylphenyl)-N,N-dimethylpropan-1-amine
SMILESCOc1c(Cl)c(C)c(Cl)c(C)c1CCCN(C)C
InChIInChI=1S/C14H21Cl2NO/c1-9-11(7-6-8-17(3)4)14(18-5)13(16)10(2)12(9)15/h6-8H2,1-5H3
InChIKeyUXTINWMRCIZOTP-UHFFFAOYSA-N
MW290.23 g/mol
LogP4.11
Rot. Bonds5

About 3-(3,5-dichloro-2-methoxy-4,6-dimethylphenyl)-N,N-dimethylpropan-1-amine

3-(3,5-dichloro-2-methoxy-4,6-dimethylphenyl)-N,N-dimethylpropan-1-amine (PubChem CID 170866556) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is 3-(3,5-dichloro-2-methoxy-4,6-dimethylphenyl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(3,5-dichloro-2-methoxy-4,6-dimethylphenyl)-N,N-dimethylpropan-1-amine
PubChem CID170866556
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC Name3-(3,5-dichloro-2-methoxy-4,6-dimethylphenyl)-N,N-dimethylpropan-1-amine
SMILESCOc1c(Cl)c(C)c(Cl)c(C)c1CCCN(C)C
InChIInChI=1S/C14H21Cl2NO/c1-9-11(7-6-8-17(3)4)14(18-5)13(16)10(2)12(9)15/h6-8H2,1-5H3
InChIKeyUXTINWMRCIZOTP-UHFFFAOYSA-N
XLogP4.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloro-2-methoxy-4,6-dimethylphenyl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(3,5-dichloro-2-methoxy-4,6-dimethylphenyl)-N,N-dimethylpropan-1-amine (CID 170866556) is 3-(3,5-dichloro-2-methoxy-4,6-dimethylphenyl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(3,5-dichloro-2-methoxy-4,6-dimethylphenyl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(3,5-dichloro-2-methoxy-4,6-dimethylphenyl)-N,N-dimethylpropan-1-amine is COc1c(Cl)c(C)c(Cl)c(C)c1CCCN(C)C.
What is the InChIKey of 3-(3,5-dichloro-2-methoxy-4,6-dimethylphenyl)-N,N-dimethylpropan-1-amine?
The InChIKey is UXTINWMRCIZOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO/c1-9-11(7-6-8-17(3)4)14(18-5)13(16)10(2)12(9)15/h6-8H2,1-5H3.
What are the key properties of 3-(3,5-dichloro-2-methoxy-4,6-dimethylphenyl)-N,N-dimethylpropan-1-amine?
3-(3,5-dichloro-2-methoxy-4,6-dimethylphenyl)-N,N-dimethylpropan-1-amine has a molecular weight of 290.23 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloro-2-methoxy-4,6-dimethylphenyl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170866556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).