1-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine

C11H16ClNO2 — CID 116962144

IUPAC1-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine
SMILESCNC(Cl)c1c(C)cc(OC)cc1OC
InChIInChI=1S/C11H16ClNO2/c1-7-5-8(14-3)6-9(15-4)10(7)11(12)13-2/h5-6,11,13H,1-4H3
InChIKeyLVPOTLVXKHUXLV-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.47
Rot. Bonds4

About 1-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine

1-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine (PubChem CID 116962144) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 1-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine
PubChem CID116962144
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name1-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine
SMILESCNC(Cl)c1c(C)cc(OC)cc1OC
InChIInChI=1S/C11H16ClNO2/c1-7-5-8(14-3)6-9(15-4)10(7)11(12)13-2/h5-6,11,13H,1-4H3
InChIKeyLVPOTLVXKHUXLV-UHFFFAOYSA-N
XLogP2.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylethanamine
CID 116952676
2-[bis(2,4-dimethoxy-6-methylphenyl)methyl]-1,3,5-trimethoxybenzene
CID 91355849
1-bromo-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine
CID 116961980
1-(2,4-dimethoxy-6-methylphenyl)-1-(methylamino)propan-2-ol
CID 116859497
1-(2,4-dimethoxy-6-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 116948303
1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylbutane-1,3-diamine
CID 116948929
1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine
CID 116949911
N-methyl-1-(2,4,6-trimethoxyphenyl)ethanamine
CID 43483000
methylamino-(2,4,6-trimethoxyphenyl)methanethiol
CID 116954536
(E)-4-(2,4-dimethoxy-6-methylphenyl)-4-(methylamino)but-2-enoic acid
CID 116956367
1-chloro-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 116962062
3-chloro-1-(2,4-dimethoxy-6-methylphenyl)propan-1-amine
CID 116937769

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine (CID 116962144) is 1-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine is CNC(Cl)c1c(C)cc(OC)cc1OC.
What is the InChIKey of 1-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine?
The InChIKey is LVPOTLVXKHUXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-7-5-8(14-3)6-9(15-4)10(7)11(12)13-2/h5-6,11,13H,1-4H3.
What are the key properties of 1-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine?
1-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine has a molecular weight of 229.71 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 116962144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).