5-chloro-N-[1-(3-fluorophenyl)ethyl]-2-propoxyaniline

C17H19ClFNO — CID 63453286

IUPAC5-chloro-N-[1-(3-fluorophenyl)ethyl]-2-propoxyaniline
SMILESCCCOc1ccc(Cl)cc1NC(C)c1cccc(F)c1
InChIInChI=1S/C17H19ClFNO/c1-3-9-21-17-8-7-14(18)11-16(17)20-12(2)13-5-4-6-15(19)10-13/h4-8,10-12,20H,3,9H2,1-2H3
InChIKeyDXJUKCDJKGLXDF-UHFFFAOYSA-N
MW307.80 g/mol
LogP5.44
Rot. Bonds6

About 5-chloro-N-[1-(3-fluorophenyl)ethyl]-2-propoxyaniline

5-chloro-N-[1-(3-fluorophenyl)ethyl]-2-propoxyaniline (PubChem CID 63453286) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 5-chloro-N-[1-(3-fluorophenyl)ethyl]-2-propoxyaniline.

Molecular Properties

Compound Name5-chloro-N-[1-(3-fluorophenyl)ethyl]-2-propoxyaniline
PubChem CID63453286
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name5-chloro-N-[1-(3-fluorophenyl)ethyl]-2-propoxyaniline
SMILESCCCOc1ccc(Cl)cc1NC(C)c1cccc(F)c1
InChIInChI=1S/C17H19ClFNO/c1-3-9-21-17-8-7-14(18)11-16(17)20-12(2)13-5-4-6-15(19)10-13/h4-8,10-12,20H,3,9H2,1-2H3
InChIKeyDXJUKCDJKGLXDF-UHFFFAOYSA-N
XLogP5.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.80
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[1-(3-fluorophenyl)ethyl]-2-iodoaniline
CID 107632466
N-[1-(3,4-difluorophenyl)ethyl]-2-propoxyaniline
CID 43682271
5-chloro-2-ethoxy-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 60935228
5-chloro-2-propoxy-N-(1-pyridin-2-ylethyl)aniline
CID 60934913
2-ethoxy-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43191738
N-[1-(3-chlorophenyl)ethyl]-2-ethoxy-4-fluoroaniline
CID 43730085
N-[1-(4-chlorophenyl)ethyl]-2-propoxyaniline
CID 43682265
5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-ethoxyaniline
CID 63451342
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-propoxyaniline
CID 43780690
2,5-difluoro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43103926
4-chloro-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethoxyaniline
CID 43111565
5-chloro-N-hexan-3-yl-2-propoxyaniline
CID 114079555

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(3-fluorophenyl)ethyl]-2-propoxyaniline?
The IUPAC name of 5-chloro-N-[1-(3-fluorophenyl)ethyl]-2-propoxyaniline (CID 63453286) is 5-chloro-N-[1-(3-fluorophenyl)ethyl]-2-propoxyaniline.
What is the SMILES notation for 5-chloro-N-[1-(3-fluorophenyl)ethyl]-2-propoxyaniline?
The canonical SMILES for 5-chloro-N-[1-(3-fluorophenyl)ethyl]-2-propoxyaniline is CCCOc1ccc(Cl)cc1NC(C)c1cccc(F)c1.
What is the InChIKey of 5-chloro-N-[1-(3-fluorophenyl)ethyl]-2-propoxyaniline?
The InChIKey is DXJUKCDJKGLXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-3-9-21-17-8-7-14(18)11-16(17)20-12(2)13-5-4-6-15(19)10-13/h4-8,10-12,20H,3,9H2,1-2H3.
What are the key properties of 5-chloro-N-[1-(3-fluorophenyl)ethyl]-2-propoxyaniline?
5-chloro-N-[1-(3-fluorophenyl)ethyl]-2-propoxyaniline has a molecular weight of 307.80 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(3-fluorophenyl)ethyl]-2-propoxyaniline is sourced from PubChem (CID 63453286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).