1-(2-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine

C15H18FNO — CID 61066306

IUPAC1-(2-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine
SMILESCNC(CCc1ccco1)Cc1ccccc1F
InChIInChI=1S/C15H18FNO/c1-17-13(8-9-14-6-4-10-18-14)11-12-5-2-3-7-15(12)16/h2-7,10,13,17H,8-9,11H2,1H3
InChIKeyIZZYOULTEAHDEU-UHFFFAOYSA-N
MW247.31 g/mol
LogP3.18
Rot. Bonds6

About 1-(2-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine

1-(2-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine (PubChem CID 61066306) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine
PubChem CID61066306
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name1-(2-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine
SMILESCNC(CCc1ccco1)Cc1ccccc1F
InChIInChI=1S/C15H18FNO/c1-17-13(8-9-14-6-4-10-18-14)11-12-5-2-3-7-15(12)16/h2-7,10,13,17H,8-9,11H2,1H3
InChIKeyIZZYOULTEAHDEU-UHFFFAOYSA-N
XLogP3.18
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(furan-2-yl)-N-methyl-1-naphthalen-1-ylbutan-2-amine
CID 61078586
1-(4-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine
CID 61064838
[1-(2-fluorophenyl)-3-(furan-2-yl)propan-2-yl]hydrazine
CID 105206963
2-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-N-methylpropan-1-amine
CID 63000314
1-(5-chloro-2-fluorophenyl)-N-ethyl-4-(furan-2-yl)butan-2-amine
CID 103053051
[1-(2,5-difluorophenyl)-4-(furan-2-yl)butan-2-yl]hydrazine
CID 105288848
1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-methylbutan-2-amine
CID 105139496
1-(5-chloro-2-fluorophenyl)-4-(furan-2-yl)-N-propylbutan-2-amine
CID 103053057
1-(2-fluorophenyl)-N-methyl-4-methylsulfonylbutan-2-amine
CID 55095130
1-fluoro-3-(furan-2-yl)-N-methylpropan-2-amine
CID 129254297
1-(furan-2-yl)-N-methyloct-6-yn-3-amine
CID 105181452
1-(2-fluorophenyl)-N-methyl-4-propoxybutan-2-amine
CID 105090111

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine (CID 61066306) is 1-(2-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine is CNC(CCc1ccco1)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine?
The InChIKey is IZZYOULTEAHDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c1-17-13(8-9-14-6-4-10-18-14)11-12-5-2-3-7-15(12)16/h2-7,10,13,17H,8-9,11H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine?
1-(2-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine has a molecular weight of 247.31 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine is sourced from PubChem (CID 61066306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).