3,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline

C17H18Cl2FN — CID 43099420

IUPAC3,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline
SMILESCCCCC(Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C17H18Cl2FN/c1-2-3-4-17(12-5-7-13(20)8-6-12)21-14-9-10-15(18)16(19)11-14/h5-11,17,21H,2-4H2,1H3
InChIKeyDRWCZCFEDUNKFP-UHFFFAOYSA-N
MW326.24 g/mol
LogP6.48
Rot. Bonds6

About 3,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline

3,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline (PubChem CID 43099420) has the molecular formula C17H18Cl2FN and a molecular weight of 326.24 g/mol. Its IUPAC name is 3,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline.

Molecular Properties

Compound Name3,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline
PubChem CID43099420
Molecular FormulaC17H18Cl2FN
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name3,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline
SMILESCCCCC(Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C17H18Cl2FN/c1-2-3-4-17(12-5-7-13(20)8-6-12)21-14-9-10-15(18)16(19)11-14/h5-11,17,21H,2-4H2,1H3
InChIKeyDRWCZCFEDUNKFP-UHFFFAOYSA-N
XLogP6.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.24
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43107477
3,5-difluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43105701
4-ethyl-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43097077
3-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
CID 43104292
1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
CID 65376445
1-(4-fluorophenyl)pentylhydrazine
CID 53402329
N-[1-(4-fluorophenyl)pentyl]-1,3,4-thiadiazol-2-amine
CID 107648562
3,5-difluoro-N-(1-phenylhexyl)aniline
CID 43765021
6-fluoro-N-[1-(4-fluorophenyl)pentyl]pyridin-2-amine
CID 116812935
1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine
CID 43111233
3-fluoro-4-methoxy-N-(1-phenylpentyl)aniline
CID 43775902
3-chloro-N-[1-(4-chlorophenyl)propyl]-4-fluoroaniline
CID 43119213

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline?
The IUPAC name of 3,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline (CID 43099420) is 3,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline.
What is the SMILES notation for 3,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline?
The canonical SMILES for 3,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline is CCCCC(Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of 3,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline?
The InChIKey is DRWCZCFEDUNKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2FN/c1-2-3-4-17(12-5-7-13(20)8-6-12)21-14-9-10-15(18)16(19)11-14/h5-11,17,21H,2-4H2,1H3.
What are the key properties of 3,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline?
3,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline has a molecular weight of 326.24 g/mol, XLogP of 6.48, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline is sourced from PubChem (CID 43099420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).