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

C15H18FNO — CID 61064838

IUPAC1-(4-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine
SMILESCNC(CCc1ccco1)Cc1ccc(F)cc1
InChIInChI=1S/C15H18FNO/c1-17-14(8-9-15-3-2-10-18-15)11-12-4-6-13(16)7-5-12/h2-7,10,14,17H,8-9,11H2,1H3
InChIKeyCPWFPCVBGCCJCA-UHFFFAOYSA-N
MW247.31 g/mol
LogP3.18
Rot. Bonds6

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

1-(4-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine (PubChem CID 61064838) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine
PubChem CID61064838
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name1-(4-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine
SMILESCNC(CCc1ccco1)Cc1ccc(F)cc1
InChIInChI=1S/C15H18FNO/c1-17-14(8-9-15-3-2-10-18-15)11-12-4-6-13(16)7-5-12/h2-7,10,14,17H,8-9,11H2,1H3
InChIKeyCPWFPCVBGCCJCA-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

1-(2-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine
CID 61066306
1-(4-fluorophenyl)-4-(furan-2-yl)butan-2-amine
CID 61079810
N-ethyl-4-(furan-2-yl)-1-phenylbutan-2-amine
CID 61064729
1-(furan-2-yl)-N-methyl-3-phenylpropan-2-amine
CID 83175691
4-(furan-2-yl)-N-methyl-1-naphthalen-1-ylbutan-2-amine
CID 61078586
1-(furan-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 105029270
1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-methylbutan-2-amine
CID 105139496
1-fluoro-3-(furan-2-yl)-N-methylpropan-2-amine
CID 129254297
1-(furan-2-yl)-N-methyloct-6-yn-3-amine
CID 105181452
4-(furan-2-yl)-N-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 105154857
N-ethyl-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105087868
[1-(5-fluoro-2-methylphenyl)-4-(furan-2-yl)butan-2-yl]hydrazine
CID 105378016

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine (CID 61064838) is 1-(4-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine is CNC(CCc1ccco1)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine?
The InChIKey is CPWFPCVBGCCJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c1-17-14(8-9-15-3-2-10-18-15)11-12-4-6-13(16)7-5-12/h2-7,10,14,17H,8-9,11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine?
1-(4-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-(4-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine is sourced from PubChem (CID 61064838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).