5-fluoro-N-[1-(furan-2-yl)propan-2-yl]-2-methylaniline

C14H16FNO — CID 63099917

IUPAC5-fluoro-N-[1-(furan-2-yl)propan-2-yl]-2-methylaniline
SMILESCc1ccc(F)cc1NC(C)Cc1ccco1
InChIInChI=1S/C14H16FNO/c1-10-5-6-12(15)9-14(10)16-11(2)8-13-4-3-7-17-13/h3-7,9,11,16H,8H2,1-2H3
InChIKeyRHCOSBNXZSSPHT-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.77
Rot. Bonds4

About 5-fluoro-N-[1-(furan-2-yl)propan-2-yl]-2-methylaniline

5-fluoro-N-[1-(furan-2-yl)propan-2-yl]-2-methylaniline (PubChem CID 63099917) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 5-fluoro-N-[1-(furan-2-yl)propan-2-yl]-2-methylaniline.

Molecular Properties

Compound Name5-fluoro-N-[1-(furan-2-yl)propan-2-yl]-2-methylaniline
PubChem CID63099917
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name5-fluoro-N-[1-(furan-2-yl)propan-2-yl]-2-methylaniline
SMILESCc1ccc(F)cc1NC(C)Cc1ccco1
InChIInChI=1S/C14H16FNO/c1-10-5-6-12(15)9-14(10)16-11(2)8-13-4-3-7-17-13/h3-7,9,11,16H,8H2,1-2H3
InChIKeyRHCOSBNXZSSPHT-UHFFFAOYSA-N
XLogP3.77
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(furan-2-yl)propan-2-ylamino]-4-methylbenzenesulfonamide
CID 63085133
2,3-difluoro-N-[1-(furan-2-yl)propan-2-yl]aniline
CID 63085318
N-[1-(furan-2-yl)propan-2-yl]-2-methylsulfanylaniline
CID 63086307
4-bromo-5-fluoro-2-N-[1-(furan-2-yl)propan-2-yl]benzene-1,2-diamine
CID 116735654
N-[1-(furan-2-yl)propan-2-yl]-3,5-dimethylaniline
CID 63099916
N-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
CID 43693054
4-[1-(furan-2-yl)propan-2-ylamino]-3-methylbenzoic acid
CID 62709297
5-fluoro-N-[(2R)-1-methoxypropan-2-yl]-2-methylaniline
CID 94473006
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
N-[2-[1-(furan-2-yl)propan-2-ylamino]phenyl]methanesulfonamide
CID 63085132
4-fluoro-3-[1-(furan-2-yl)propan-2-ylamino]benzamide
CID 63083935
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
CID 43783176

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[1-(furan-2-yl)propan-2-yl]-2-methylaniline?
The IUPAC name of 5-fluoro-N-[1-(furan-2-yl)propan-2-yl]-2-methylaniline (CID 63099917) is 5-fluoro-N-[1-(furan-2-yl)propan-2-yl]-2-methylaniline.
What is the SMILES notation for 5-fluoro-N-[1-(furan-2-yl)propan-2-yl]-2-methylaniline?
The canonical SMILES for 5-fluoro-N-[1-(furan-2-yl)propan-2-yl]-2-methylaniline is Cc1ccc(F)cc1NC(C)Cc1ccco1.
What is the InChIKey of 5-fluoro-N-[1-(furan-2-yl)propan-2-yl]-2-methylaniline?
The InChIKey is RHCOSBNXZSSPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-10-5-6-12(15)9-14(10)16-11(2)8-13-4-3-7-17-13/h3-7,9,11,16H,8H2,1-2H3.
What are the key properties of 5-fluoro-N-[1-(furan-2-yl)propan-2-yl]-2-methylaniline?
5-fluoro-N-[1-(furan-2-yl)propan-2-yl]-2-methylaniline has a molecular weight of 233.29 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[1-(furan-2-yl)propan-2-yl]-2-methylaniline is sourced from PubChem (CID 63099917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).