1-chloro-1-(2,4-dimethoxyphenyl)-N-methylmethanamine

C10H14ClNO2 — CID 116962062

IUPAC1-chloro-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
SMILESCNC(Cl)c1ccc(OC)cc1OC
InChIInChI=1S/C10H14ClNO2/c1-12-10(11)8-5-4-7(13-2)6-9(8)14-3/h4-6,10,12H,1-3H3
InChIKeyPCJMZEFRWRKAKA-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.16
Rot. Bonds4

About 1-chloro-1-(2,4-dimethoxyphenyl)-N-methylmethanamine

1-chloro-1-(2,4-dimethoxyphenyl)-N-methylmethanamine (PubChem CID 116962062) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 1-chloro-1-(2,4-dimethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-chloro-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
PubChem CID116962062
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name1-chloro-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
SMILESCNC(Cl)c1ccc(OC)cc1OC
InChIInChI=1S/C10H14ClNO2/c1-12-10(11)8-5-4-7(13-2)6-9(8)14-3/h4-6,10,12H,1-3H3
InChIKeyPCJMZEFRWRKAKA-UHFFFAOYSA-N
XLogP2.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.16
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

1-chloro-1-(2,5-dimethoxyphenyl)-N-methylmethanamine
CID 116962039
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol
CID 116859416
1-(1-chloro-2,2-difluoroethyl)-2,4-dimethoxybenzene
CID 103514415
2-(2,4-dimethoxyphenyl)-N,4-dimethylpentan-3-amine
CID 79298936
3-amino-1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol
CID 116957643
2-(2,4-dimethoxyphenyl)-2-(methylamino)acetamide
CID 60797020
(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621
1-(2,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82720480
1-(2,4-dimethoxyphenyl)-N,3-dimethylbut-2-en-1-amine
CID 105004391
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-(2,4-dimethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-chloro-1-(2,4-dimethoxyphenyl)-N-methylmethanamine (CID 116962062) is 1-chloro-1-(2,4-dimethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-chloro-1-(2,4-dimethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-chloro-1-(2,4-dimethoxyphenyl)-N-methylmethanamine is CNC(Cl)c1ccc(OC)cc1OC.
What is the InChIKey of 1-chloro-1-(2,4-dimethoxyphenyl)-N-methylmethanamine?
The InChIKey is PCJMZEFRWRKAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-12-10(11)8-5-4-7(13-2)6-9(8)14-3/h4-6,10,12H,1-3H3.
What are the key properties of 1-chloro-1-(2,4-dimethoxyphenyl)-N-methylmethanamine?
1-chloro-1-(2,4-dimethoxyphenyl)-N-methylmethanamine has a molecular weight of 215.68 g/mol, XLogP of 2.16, 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-dimethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 116962062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).