2-(3-chloro-2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethanamine

C17H19ClFNO — CID 102857856

IUPAC2-(3-chloro-2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1F)c1ccc(OC)c(C)c1
InChIInChI=1S/C17H19ClFNO/c1-11-9-12(7-8-16(11)21-3)15(20-2)10-13-5-4-6-14(18)17(13)19/h4-9,15,20H,10H2,1-3H3
InChIKeyTZBKNJRJGJOHSK-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.30
Rot. Bonds5

About 2-(3-chloro-2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethanamine

2-(3-chloro-2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethanamine (PubChem CID 102857856) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethanamine
PubChem CID102857856
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1F)c1ccc(OC)c(C)c1
InChIInChI=1S/C17H19ClFNO/c1-11-9-12(7-8-16(11)21-3)15(20-2)10-13-5-4-6-14(18)17(13)19/h4-9,15,20H,10H2,1-3H3
InChIKeyTZBKNJRJGJOHSK-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 102857521
2-(4-chloro-3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethanamine
CID 107885051
2-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethanamine
CID 43487445
1-(3-bromo-4-fluorophenyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 102857903
1-(4-fluoro-3,5-dimethylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 65298959
1-(3-bromo-4-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032572
1-(3-chloro-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 115826763
1-(3-chloro-5-methylphenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 105035700
2-(3-chloro-2-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanol
CID 102867481
[2-(2-chloro-6-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethyl]hydrazine
CID 105258266
[2-(2-chloro-5-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethyl]hydrazine
CID 102623414
1-(2,3-dichlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 105035564

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethanamine (CID 102857856) is 2-(3-chloro-2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethanamine is CNC(Cc1cccc(Cl)c1F)c1ccc(OC)c(C)c1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethanamine?
The InChIKey is TZBKNJRJGJOHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-11-9-12(7-8-16(11)21-3)15(20-2)10-13-5-4-6-14(18)17(13)19/h4-9,15,20H,10H2,1-3H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethanamine?
2-(3-chloro-2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethanamine has a molecular weight of 307.80 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 102857856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).