1-[2-fluoro-5-(4-methoxyphenyl)phenyl]-N-methylmethanamine

C15H16FNO — CID 54911708

IUPAC1-[2-fluoro-5-(4-methoxyphenyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccc(OC)cc2)ccc1F
InChIInChI=1S/C15H16FNO/c1-17-10-13-9-12(5-8-15(13)16)11-3-6-14(18-2)7-4-11/h3-9,17H,10H2,1-2H3
InChIKeyJCEAOHVQOMAYAP-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.22
Rot. Bonds4

About 1-[2-fluoro-5-(4-methoxyphenyl)phenyl]-N-methylmethanamine

1-[2-fluoro-5-(4-methoxyphenyl)phenyl]-N-methylmethanamine (PubChem CID 54911708) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-[2-fluoro-5-(4-methoxyphenyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-fluoro-5-(4-methoxyphenyl)phenyl]-N-methylmethanamine
PubChem CID54911708
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name1-[2-fluoro-5-(4-methoxyphenyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccc(OC)cc2)ccc1F
InChIInChI=1S/C15H16FNO/c1-17-10-13-9-12(5-8-15(13)16)11-3-6-14(18-2)7-4-11/h3-9,17H,10H2,1-2H3
InChIKeyJCEAOHVQOMAYAP-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(4-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine
CID 54911684
1-[5-(4-cyclobutylphenyl)-2-fluorophenyl]-N-methylmethanamine
CID 116506604
1-[2-fluoro-5-[4-(2-methylbutan-2-yl)phenyl]phenyl]-N-methylmethanamine
CID 66259190
1-[2-fluoro-5-(2-fluoro-3-methoxyphenyl)phenyl]-N-methylmethanamine
CID 82811445
1-[5-(2,3-dihydro-1H-inden-5-yl)-2-fluorophenyl]-N-methylmethanamine
CID 54910232
N'-[(2-fluoro-5-methoxyphenyl)methyl]-N-methylpropane-1,3-diamine
CID 142265352
1-[2-fluoro-4-(4-propan-2-yloxyphenyl)phenyl]-N-methylmethanamine
CID 61032657
1-(2-fluoro-5-pyridin-3-ylphenyl)-N-methylmethanamine
CID 61026213
[2-fluoro-4-(4-methoxyphenyl)phenyl]methanol
CID 11207006
1-[5-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-N-methylmethanamine
CID 107514112
N-[[5-(2,4-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 61032524
1-[2-methoxy-5-(4-propoxyphenyl)phenyl]-N-methylmethanamine
CID 62797291

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(4-methoxyphenyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-fluoro-5-(4-methoxyphenyl)phenyl]-N-methylmethanamine (CID 54911708) is 1-[2-fluoro-5-(4-methoxyphenyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-fluoro-5-(4-methoxyphenyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-fluoro-5-(4-methoxyphenyl)phenyl]-N-methylmethanamine is CNCc1cc(-c2ccc(OC)cc2)ccc1F.
What is the InChIKey of 1-[2-fluoro-5-(4-methoxyphenyl)phenyl]-N-methylmethanamine?
The InChIKey is JCEAOHVQOMAYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-17-10-13-9-12(5-8-15(13)16)11-3-6-14(18-2)7-4-11/h3-9,17H,10H2,1-2H3.
What are the key properties of 1-[2-fluoro-5-(4-methoxyphenyl)phenyl]-N-methylmethanamine?
1-[2-fluoro-5-(4-methoxyphenyl)phenyl]-N-methylmethanamine has a molecular weight of 245.30 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(4-methoxyphenyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 54911708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).