4-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylbutan-2-amine

C18H22FNO — CID 82540176

IUPAC4-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylbutan-2-amine
SMILESCNC(C)CCc1cccc(-c2ccc(OC)c(F)c2)c1
InChIInChI=1S/C18H22FNO/c1-13(20-2)7-8-14-5-4-6-15(11-14)16-9-10-18(21-3)17(19)12-16/h4-6,9-13,20H,7-8H2,1-3H3
InChIKeyMFFCBNFQNHKCDR-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.04
Rot. Bonds6

About 4-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylbutan-2-amine

4-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylbutan-2-amine (PubChem CID 82540176) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 4-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylbutan-2-amine
PubChem CID82540176
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name4-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylbutan-2-amine
SMILESCNC(C)CCc1cccc(-c2ccc(OC)c(F)c2)c1
InChIInChI=1S/C18H22FNO/c1-13(20-2)7-8-14-5-4-6-15(11-14)16-9-10-18(21-3)17(19)12-16/h4-6,9-13,20H,7-8H2,1-3H3
InChIKeyMFFCBNFQNHKCDR-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-fluoro-4-methoxyphenyl)-N-methylpentan-2-amine
CID 64503531
4-[3-(3-chlorophenyl)phenyl]-N-methylbutan-2-amine
CID 82540396
4-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylbutan-2-amine
CID 112518328
1-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylpropan-1-amine
CID 61033554
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
3-(3-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]propanamide
CID 120829586
[1-(3-fluoro-4-methoxyphenyl)-3-(3-methylphenyl)propyl]hydrazine
CID 105304055
4-(5-ethyl-2-methoxyphenyl)-N-methylbutan-2-amine
CID 112517862
1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylpropan-2-amine
CID 82540192
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195380
1-[4-(3-fluoro-4-methoxyphenyl)phenyl]-3-methylbutan-2-amine
CID 82541755
2-fluoro-4-(3-isocyanatophenyl)-1-methoxybenzene
CID 169355024

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylbutan-2-amine?
The IUPAC name of 4-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylbutan-2-amine (CID 82540176) is 4-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylbutan-2-amine.
What is the SMILES notation for 4-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylbutan-2-amine?
The canonical SMILES for 4-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylbutan-2-amine is CNC(C)CCc1cccc(-c2ccc(OC)c(F)c2)c1.
What is the InChIKey of 4-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylbutan-2-amine?
The InChIKey is MFFCBNFQNHKCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-13(20-2)7-8-14-5-4-6-15(11-14)16-9-10-18(21-3)17(19)12-16/h4-6,9-13,20H,7-8H2,1-3H3.
What are the key properties of 4-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylbutan-2-amine?
4-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylbutan-2-amine has a molecular weight of 287.38 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylbutan-2-amine is sourced from PubChem (CID 82540176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).