N-[(2-ethoxyphenyl)methyl]-3-fluoroaniline

C15H16FNO — CID 23793082

IUPACN-[(2-ethoxyphenyl)methyl]-3-fluoroaniline
SMILESCCOc1ccccc1CNc1cccc(F)c1
InChIInChI=1S/C15H16FNO/c1-2-18-15-9-4-3-6-12(15)11-17-14-8-5-7-13(16)10-14/h3-10,17H,2,11H2,1H3
InChIKeyVBTIPTLIXQGNKG-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.84
Rot. Bonds5

About N-[(2-ethoxyphenyl)methyl]-3-fluoroaniline

N-[(2-ethoxyphenyl)methyl]-3-fluoroaniline (PubChem CID 23793082) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-3-fluoroaniline.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-3-fluoroaniline
PubChem CID23793082
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC NameN-[(2-ethoxyphenyl)methyl]-3-fluoroaniline
SMILESCCOc1ccccc1CNc1cccc(F)c1
InChIInChI=1S/C15H16FNO/c1-2-18-15-9-4-3-6-12(15)11-17-14-8-5-7-13(16)10-14/h3-10,17H,2,11H2,1H3
InChIKeyVBTIPTLIXQGNKG-UHFFFAOYSA-N
XLogP3.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
CID 39374232
N-[2-(2-ethoxyphenoxy)ethyl]-3-fluoroaniline
CID 62572879
N-[(2-ethoxyphenyl)methyl]-3-propoxyaniline
CID 43693650
1-N-[(2-ethoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 78913927
N-[(2-ethoxyphenyl)methyl]-2,6-difluoroaniline
CID 28879073
methyl 3-[(2-ethoxyphenyl)methylamino]benzoate
CID 43217510
3-ethoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 54800907
2-[(3-fluoroanilino)methyl]phenol
CID 27267422
4-bromo-N-[(2-ethoxyphenyl)methyl]-3-methylaniline
CID 28546731
2-[(2-ethoxyphenyl)methylamino]-5-fluorobenzonitrile
CID 79033707
4-chloro-N-[(2-ethoxyphenyl)methyl]aniline
CID 900682
2-chloro-4-[(2-ethoxyphenyl)methylamino]phenol
CID 107678736

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-3-fluoroaniline?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-3-fluoroaniline (CID 23793082) is N-[(2-ethoxyphenyl)methyl]-3-fluoroaniline.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-3-fluoroaniline?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-3-fluoroaniline is CCOc1ccccc1CNc1cccc(F)c1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-3-fluoroaniline?
The InChIKey is VBTIPTLIXQGNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-2-18-15-9-4-3-6-12(15)11-17-14-8-5-7-13(16)10-14/h3-10,17H,2,11H2,1H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-3-fluoroaniline?
N-[(2-ethoxyphenyl)methyl]-3-fluoroaniline has a molecular weight of 245.30 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-3-fluoroaniline is sourced from PubChem (CID 23793082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).