N-[1-(4-chlorophenyl)propyl]-4-fluoro-2-methoxyaniline

C16H17ClFNO — CID 63455009

IUPACN-[1-(4-chlorophenyl)propyl]-4-fluoro-2-methoxyaniline
SMILESCCC(Nc1ccc(F)cc1OC)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClFNO/c1-3-14(11-4-6-12(17)7-5-11)19-15-9-8-13(18)10-16(15)20-2/h4-10,14,19H,3H2,1-2H3
InChIKeyRKKHDIBUTIXOBU-UHFFFAOYSA-N
MW293.77 g/mol
LogP5.05
Rot. Bonds5

About N-[1-(4-chlorophenyl)propyl]-4-fluoro-2-methoxyaniline

N-[1-(4-chlorophenyl)propyl]-4-fluoro-2-methoxyaniline (PubChem CID 63455009) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propyl]-4-fluoro-2-methoxyaniline.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propyl]-4-fluoro-2-methoxyaniline
PubChem CID63455009
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC NameN-[1-(4-chlorophenyl)propyl]-4-fluoro-2-methoxyaniline
SMILESCCC(Nc1ccc(F)cc1OC)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClFNO/c1-3-14(11-4-6-12(17)7-5-11)19-15-9-8-13(18)10-16(15)20-2/h4-10,14,19H,3H2,1-2H3
InChIKeyRKKHDIBUTIXOBU-UHFFFAOYSA-N
XLogP5.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.77
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)butyl]-4-fluoro-2-methoxyaniline
CID 63454836
N-[1-(4-chlorophenyl)propyl]-2-methoxy-4-methylaniline
CID 63451185
N-[(4-chlorophenyl)-cyclopropylmethyl]-4-fluoro-2-methoxyaniline
CID 63453951
2,4-difluoro-N-[1-(4-fluorophenyl)propyl]aniline
CID 43095155
N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-fluoro-2-methoxyaniline
CID 61221357
N-[1-(4-chlorophenyl)propyl]-2,4,5-trifluoroaniline
CID 63476825
4-fluoro-N-[1-(4-methoxyphenyl)propyl]-2-methylaniline
CID 43097522
2-chloro-4-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline
CID 43773957
N-[1-(4-bromophenyl)propyl]-2-chloro-4-fluoroaniline
CID 43150469
N-[1-(3-chlorophenyl)propyl]-2-methoxyaniline
CID 43109420
2-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
CID 43122613
N-(1-cyclopropylpropyl)-4-fluoro-2-methoxyaniline
CID 64918639

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propyl]-4-fluoro-2-methoxyaniline?
The IUPAC name of N-[1-(4-chlorophenyl)propyl]-4-fluoro-2-methoxyaniline (CID 63455009) is N-[1-(4-chlorophenyl)propyl]-4-fluoro-2-methoxyaniline.
What is the SMILES notation for N-[1-(4-chlorophenyl)propyl]-4-fluoro-2-methoxyaniline?
The canonical SMILES for N-[1-(4-chlorophenyl)propyl]-4-fluoro-2-methoxyaniline is CCC(Nc1ccc(F)cc1OC)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propyl]-4-fluoro-2-methoxyaniline?
The InChIKey is RKKHDIBUTIXOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-3-14(11-4-6-12(17)7-5-11)19-15-9-8-13(18)10-16(15)20-2/h4-10,14,19H,3H2,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)propyl]-4-fluoro-2-methoxyaniline?
N-[1-(4-chlorophenyl)propyl]-4-fluoro-2-methoxyaniline has a molecular weight of 293.77 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propyl]-4-fluoro-2-methoxyaniline is sourced from PubChem (CID 63455009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).