2-ethoxy-N-[1-(3-fluorophenyl)propyl]-4-methylaniline

C18H22FNO — CID 114871410

IUPAC2-ethoxy-N-[1-(3-fluorophenyl)propyl]-4-methylaniline
SMILESCCOc1cc(C)ccc1NC(CC)c1cccc(F)c1
InChIInChI=1S/C18H22FNO/c1-4-16(14-7-6-8-15(19)12-14)20-17-10-9-13(3)11-18(17)21-5-2/h6-12,16,20H,4-5H2,1-3H3
InChIKeyDLDNETZXWOJHJD-UHFFFAOYSA-N
MW287.38 g/mol
LogP5.10
Rot. Bonds6

About 2-ethoxy-N-[1-(3-fluorophenyl)propyl]-4-methylaniline

2-ethoxy-N-[1-(3-fluorophenyl)propyl]-4-methylaniline (PubChem CID 114871410) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-ethoxy-N-[1-(3-fluorophenyl)propyl]-4-methylaniline.

Molecular Properties

Compound Name2-ethoxy-N-[1-(3-fluorophenyl)propyl]-4-methylaniline
PubChem CID114871410
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name2-ethoxy-N-[1-(3-fluorophenyl)propyl]-4-methylaniline
SMILESCCOc1cc(C)ccc1NC(CC)c1cccc(F)c1
InChIInChI=1S/C18H22FNO/c1-4-16(14-7-6-8-15(19)12-14)20-17-10-9-13(3)11-18(17)21-5-2/h6-12,16,20H,4-5H2,1-3H3
InChIKeyDLDNETZXWOJHJD-UHFFFAOYSA-N
XLogP5.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.38
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
CID 63452945
4-ethoxy-3-fluoro-N-[1-(3-fluorophenyl)propyl]aniline
CID 114871801
2-ethoxy-4-fluoro-N-[1-(3-methylphenyl)ethyl]aniline
CID 43787964
N-[1-(3-fluorophenyl)propyl]-3-methylaniline
CID 114870935
4-ethoxy-N-[1-(3-fluorophenyl)propyl]aniline
CID 114870959
4-fluoro-N-[1-(3-fluorophenyl)propyl]-2-iodoaniline
CID 114871694
N-ethoxy-1-(3-fluorophenyl)propan-1-amine
CID 114871757
2-[1-(2-ethoxy-4-fluoroanilino)propyl]phenol
CID 43730084
2-ethoxy-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43191738
(2-ethoxy-5-methylphenyl)-(3-fluorophenyl)methanol
CID 62301823
4-bromo-2,3-dichloro-N-[1-(3-fluorophenyl)propyl]aniline
CID 107787553
2-fluoro-4-methyl-N-(1-phenylpropyl)aniline
CID 43114235

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[1-(3-fluorophenyl)propyl]-4-methylaniline?
The IUPAC name of 2-ethoxy-N-[1-(3-fluorophenyl)propyl]-4-methylaniline (CID 114871410) is 2-ethoxy-N-[1-(3-fluorophenyl)propyl]-4-methylaniline.
What is the SMILES notation for 2-ethoxy-N-[1-(3-fluorophenyl)propyl]-4-methylaniline?
The canonical SMILES for 2-ethoxy-N-[1-(3-fluorophenyl)propyl]-4-methylaniline is CCOc1cc(C)ccc1NC(CC)c1cccc(F)c1.
What is the InChIKey of 2-ethoxy-N-[1-(3-fluorophenyl)propyl]-4-methylaniline?
The InChIKey is DLDNETZXWOJHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-4-16(14-7-6-8-15(19)12-14)20-17-10-9-13(3)11-18(17)21-5-2/h6-12,16,20H,4-5H2,1-3H3.
What are the key properties of 2-ethoxy-N-[1-(3-fluorophenyl)propyl]-4-methylaniline?
2-ethoxy-N-[1-(3-fluorophenyl)propyl]-4-methylaniline has a molecular weight of 287.38 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[1-(3-fluorophenyl)propyl]-4-methylaniline is sourced from PubChem (CID 114871410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).