1-(5-chloro-4-methoxy-2-methylphenyl)-N,N-dimethylmethanamine

C11H16ClNO — CID 70849706

IUPAC1-(5-chloro-4-methoxy-2-methylphenyl)-N,N-dimethylmethanamine
SMILESCOc1cc(C)c(CN(C)C)cc1Cl
InChIInChI=1S/C11H16ClNO/c1-8-5-11(14-4)10(12)6-9(8)7-13(2)3/h5-6H,7H2,1-4H3
InChIKeyADCIKPXJVQOFBV-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.72
Rot. Bonds3

About 1-(5-chloro-4-methoxy-2-methylphenyl)-N,N-dimethylmethanamine

1-(5-chloro-4-methoxy-2-methylphenyl)-N,N-dimethylmethanamine (PubChem CID 70849706) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 1-(5-chloro-4-methoxy-2-methylphenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-4-methoxy-2-methylphenyl)-N,N-dimethylmethanamine
PubChem CID70849706
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name1-(5-chloro-4-methoxy-2-methylphenyl)-N,N-dimethylmethanamine
SMILESCOc1cc(C)c(CN(C)C)cc1Cl
InChIInChI=1S/C11H16ClNO/c1-8-5-11(14-4)10(12)6-9(8)7-13(2)3/h5-6H,7H2,1-4H3
InChIKeyADCIKPXJVQOFBV-UHFFFAOYSA-N
XLogP2.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-5-(chloromethyl)-2-methoxy-4-methylbenzene
CID 82470035
2-[(5-chloro-4-methoxy-2-methylphenyl)methyl-methylamino]acetic acid
CID 82483229
(5-chloro-4-methoxy-2-methylphenyl)methanamine
CID 82281020
2-[(5-chloro-4-methoxy-2-methylphenyl)methyl-methylamino]acetamide
CID 115259987
2-(5-chloro-4-methoxy-2-methylphenyl)-N-(chloromethyl)-N-methylethanamine
CID 115263511
4-[(5-chloro-4-methoxy-2-methylphenyl)methyl-methylamino]butanenitrile
CID 115231812
N'-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-N-methylmethanediamine
CID 89373836
[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl-methylamino]methanethiol
CID 115228412
1-chloro-2-methoxy-4-methyl-5-(2,2,2-trifluoroethyl)benzene
CID 116932143
3-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284469
3-[(5-chloro-4-methoxy-2-methylphenyl)methyl]azetidine
CID 82287742
2-[2-(5-chloro-4-methoxy-2-methylphenyl)ethylamino]acetonitrile
CID 115131221

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-methoxy-2-methylphenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(5-chloro-4-methoxy-2-methylphenyl)-N,N-dimethylmethanamine (CID 70849706) is 1-(5-chloro-4-methoxy-2-methylphenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(5-chloro-4-methoxy-2-methylphenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(5-chloro-4-methoxy-2-methylphenyl)-N,N-dimethylmethanamine is COc1cc(C)c(CN(C)C)cc1Cl.
What is the InChIKey of 1-(5-chloro-4-methoxy-2-methylphenyl)-N,N-dimethylmethanamine?
The InChIKey is ADCIKPXJVQOFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-8-5-11(14-4)10(12)6-9(8)7-13(2)3/h5-6H,7H2,1-4H3.
What are the key properties of 1-(5-chloro-4-methoxy-2-methylphenyl)-N,N-dimethylmethanamine?
1-(5-chloro-4-methoxy-2-methylphenyl)-N,N-dimethylmethanamine has a molecular weight of 213.71 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-methoxy-2-methylphenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 70849706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).