1-(2-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine

C15H15ClFNO — CID 105394635

IUPAC1-(2-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(OC)c1)c1cc(F)ccc1Cl
InChIInChI=1S/C15H15ClFNO/c1-18-15(10-4-3-5-12(8-10)19-2)13-9-11(17)6-7-14(13)16/h3-9,15,18H,1-2H3
InChIKeyOPVKLUZXNPTTDV-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.80
Rot. Bonds4

About 1-(2-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine

1-(2-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine (PubChem CID 105394635) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
PubChem CID105394635
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name1-(2-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(OC)c1)c1cc(F)ccc1Cl
InChIInChI=1S/C15H15ClFNO/c1-18-15(10-4-3-5-12(8-10)19-2)13-9-11(17)6-7-14(13)16/h3-9,15,18H,1-2H3
InChIKeyOPVKLUZXNPTTDV-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-5-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 105394636
1-(4-chloro-3-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 107991860
1-(2,4-difluoro-5-methylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 79724422
1-[3-(difluoromethoxy)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482866
1-(2,5-difluorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 62920487
1-(2-chlorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 55125063
[(2-bromo-5-fluorophenyl)-(3-methoxyphenyl)methyl]hydrazine
CID 105283657
1-[3-(difluoromethoxy)phenyl]-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115851960
1-(4-fluoro-3,5-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 65299487
[(2-chloro-5-fluorophenyl)-(4-methoxyphenyl)methyl]hydrazine
CID 105397726
1-(2-chloro-5-fluorophenyl)-1-(2,6-dichlorophenyl)-N-methylmethanamine
CID 105397291
1-(5-fluoro-3-pyridinyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 54967829

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine (CID 105394635) is 1-(2-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine is CNC(c1cccc(OC)c1)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine?
The InChIKey is OPVKLUZXNPTTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-18-15(10-4-3-5-12(8-10)19-2)13-9-11(17)6-7-14(13)16/h3-9,15,18H,1-2H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine?
1-(2-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine has a molecular weight of 279.74 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 105394635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).