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

C16H17ClFNO — CID 107992337

IUPAC1-(4-chloro-3-fluorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(F)c1)c1ccc(OC)cc1C
InChIInChI=1S/C16H17ClFNO/c1-10-8-12(20-3)5-6-13(10)16(19-2)11-4-7-14(17)15(18)9-11/h4-9,16,19H,1-3H3
InChIKeySBQGHQCHKHBYNJ-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.10
Rot. Bonds4

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

1-(4-chloro-3-fluorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine (PubChem CID 107992337) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
PubChem CID107992337
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name1-(4-chloro-3-fluorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(F)c1)c1ccc(OC)cc1C
InChIInChI=1S/C16H17ClFNO/c1-10-8-12(20-3)5-6-13(10)16(19-2)11-4-7-14(17)15(18)9-11/h4-9,16,19H,1-3H3
InChIKeySBQGHQCHKHBYNJ-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 63194536
1-(3-bromo-4-chlorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 115567055
1-(4-chloro-3-fluorophenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 107993091
1-(4-chloro-2,5-difluorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 82772858
1-(2,5-dichlorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 43482843
1-(4-chloro-3-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 107991860
1-(2-chloro-3-fluorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 81454582
1-(4-chloro-3-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 107998804
1-(3-chloro-5-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 81323002
1-(3-chloro-4-methylphenyl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 63194662
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 107993161
1-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 107992985

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine (CID 107992337) is 1-(4-chloro-3-fluorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine is CNC(c1ccc(Cl)c(F)c1)c1ccc(OC)cc1C.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine?
The InChIKey is SBQGHQCHKHBYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-10-8-12(20-3)5-6-13(10)16(19-2)11-4-7-14(17)15(18)9-11/h4-9,16,19H,1-3H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine?
1-(4-chloro-3-fluorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine has a molecular weight of 293.77 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 107992337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).