1-(2-chloro-3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine

C17H19ClFNO — CID 115826207

IUPAC1-(2-chloro-3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(C)ccc1OC)c1cccc(F)c1Cl
InChIInChI=1S/C17H19ClFNO/c1-11-7-8-16(21-3)12(9-11)10-15(20-2)13-5-4-6-14(19)17(13)18/h4-9,15,20H,10H2,1-3H3
InChIKeyFAIHTQGSUSRPHS-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.30
Rot. Bonds5

About 1-(2-chloro-3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine

1-(2-chloro-3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine (PubChem CID 115826207) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
PubChem CID115826207
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name1-(2-chloro-3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(C)ccc1OC)c1cccc(F)c1Cl
InChIInChI=1S/C17H19ClFNO/c1-11-7-8-16(21-3)12(9-11)10-15(20-2)13-5-4-6-14(19)17(13)18/h4-9,15,20H,10H2,1-3H3
InChIKeyFAIHTQGSUSRPHS-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

1,2-bis(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032290
1-(2-chloro-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115809397
1-(4-bromo-2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 115826208
1-(4-fluoro-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 81267976
1-(2-bromo-4-methylphenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032435
1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 107968056
2-(5-bromo-2-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylethanamine
CID 115817218
2-(2-chloro-4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 63033863
2-(2-chloro-4-methylphenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 106867237
2-(2-chloro-3-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine
CID 105032442
1-(2,3-dichlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 105035564
1-(2-bromo-3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826712

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine (CID 115826207) is 1-(2-chloro-3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine is CNC(Cc1cc(C)ccc1OC)c1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine?
The InChIKey is FAIHTQGSUSRPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-11-7-8-16(21-3)12(9-11)10-15(20-2)13-5-4-6-14(19)17(13)18/h4-9,15,20H,10H2,1-3H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine?
1-(2-chloro-3-fluorophenyl)-2-(2-methoxy-5-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 1-(2-chloro-3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 115826207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).