N-[(5-ethylfuran-2-yl)methyl]-4-fluoro-3-methylaniline

C14H16FNO — CID 62809873

IUPACN-[(5-ethylfuran-2-yl)methyl]-4-fluoro-3-methylaniline
SMILESCCc1ccc(CNc2ccc(F)c(C)c2)o1
InChIInChI=1S/C14H16FNO/c1-3-12-5-6-13(17-12)9-16-11-4-7-14(15)10(2)8-11/h4-8,16H,3,9H2,1-2H3
InChIKeyLTRBDTJOTJZRAL-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.90
Rot. Bonds4

About N-[(5-ethylfuran-2-yl)methyl]-4-fluoro-3-methylaniline

N-[(5-ethylfuran-2-yl)methyl]-4-fluoro-3-methylaniline (PubChem CID 62809873) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-4-fluoro-3-methylaniline.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-4-fluoro-3-methylaniline
PubChem CID62809873
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-4-fluoro-3-methylaniline
SMILESCCc1ccc(CNc2ccc(F)c(C)c2)o1
InChIInChI=1S/C14H16FNO/c1-3-12-5-6-13(17-12)9-16-11-4-7-14(15)10(2)8-11/h4-8,16H,3,9H2,1-2H3
InChIKeyLTRBDTJOTJZRAL-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 5-[(4-fluoro-3-methylanilino)methyl]furan-2-carboxylate
CID 62810209
N-[(5-ethylfuran-2-yl)methyl]-4-methyl-3-methylsulfonylaniline
CID 75500026
N-[(5-ethylfuran-2-yl)methyl]-3,4-dimethoxyaniline
CID 62347377
4-bromo-N-[(5-ethylfuran-2-yl)methyl]-3-iodoaniline
CID 114259462
N-[(2,6-difluorophenyl)methyl]-4-fluoro-3-methylaniline
CID 55118977
2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine
CID 62523846
4-fluoro-3-methyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 63050571
4-fluoro-N-[(4-iodophenyl)methyl]-3-methylaniline
CID 65479215
N-[(5-ethylfuran-2-yl)methyl]-4-propan-2-ylaniline
CID 62345235
3,4-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43762015
4-fluoro-N-(furan-3-ylmethyl)-3-methylaniline
CID 63204789
N-(bromomethyl)-4-fluoro-3-methylaniline
CID 115261522

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-4-fluoro-3-methylaniline?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-4-fluoro-3-methylaniline (CID 62809873) is N-[(5-ethylfuran-2-yl)methyl]-4-fluoro-3-methylaniline.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-4-fluoro-3-methylaniline?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-4-fluoro-3-methylaniline is CCc1ccc(CNc2ccc(F)c(C)c2)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-4-fluoro-3-methylaniline?
The InChIKey is LTRBDTJOTJZRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-3-12-5-6-13(17-12)9-16-11-4-7-14(15)10(2)8-11/h4-8,16H,3,9H2,1-2H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-4-fluoro-3-methylaniline?
N-[(5-ethylfuran-2-yl)methyl]-4-fluoro-3-methylaniline has a molecular weight of 233.29 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-4-fluoro-3-methylaniline is sourced from PubChem (CID 62809873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).