2-chloro-1-(4-methoxyphenyl)-N-methylethanamine

C10H14ClNO — CID 116952568

IUPAC2-chloro-1-(4-methoxyphenyl)-N-methylethanamine
SMILESCNC(CCl)c1ccc(OC)cc1
InChIInChI=1S/C10H14ClNO/c1-12-10(7-11)8-3-5-9(13-2)6-4-8/h3-6,10,12H,7H2,1-2H3
InChIKeyRINAUFWINIFFCE-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.19
Rot. Bonds4

About 2-chloro-1-(4-methoxyphenyl)-N-methylethanamine

2-chloro-1-(4-methoxyphenyl)-N-methylethanamine (PubChem CID 116952568) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-chloro-1-(4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-chloro-1-(4-methoxyphenyl)-N-methylethanamine
PubChem CID116952568
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-chloro-1-(4-methoxyphenyl)-N-methylethanamine
SMILESCNC(CCl)c1ccc(OC)cc1
InChIInChI=1S/C10H14ClNO/c1-12-10(7-11)8-3-5-9(13-2)6-4-8/h3-6,10,12H,7H2,1-2H3
InChIKeyRINAUFWINIFFCE-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 43481478
1-(4-methoxyphenyl)-N-methylbutane-1,4-diamine
CID 116949257
2-chloro-1-(4-ethylphenyl)-N-methylethanamine
CID 116952559
1-(4-methoxyphenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949687
2-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)-N-methylethanamine
CID 82004349
2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)-N-methylethanamine
CID 64620494
(1S)-1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 139630399
2-chloro-1-(4-methoxyphenyl)ethanol
CID 12862876
N-(2-chloro-1-phenylethyl)-4-methoxybenzenesulfonamide
CID 65031277
2-(6-methoxynaphthalen-2-yl)-2-(methylamino)ethanol
CID 61055119
methyl 2-[2-(4-methoxyphenyl)-2-(methylamino)ethyl]sulfonylacetate
CID 64676552
1-(4-methoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfonyl)ethanamine
CID 64646603

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-chloro-1-(4-methoxyphenyl)-N-methylethanamine (CID 116952568) is 2-chloro-1-(4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-chloro-1-(4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-chloro-1-(4-methoxyphenyl)-N-methylethanamine is CNC(CCl)c1ccc(OC)cc1.
What is the InChIKey of 2-chloro-1-(4-methoxyphenyl)-N-methylethanamine?
The InChIKey is RINAUFWINIFFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-12-10(7-11)8-3-5-9(13-2)6-4-8/h3-6,10,12H,7H2,1-2H3.
What are the key properties of 2-chloro-1-(4-methoxyphenyl)-N-methylethanamine?
2-chloro-1-(4-methoxyphenyl)-N-methylethanamine has a molecular weight of 199.68 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 116952568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).