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

C16H17ClFN — CID 43104292

IUPAC3-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
SMILESCCC(Nc1ccc(C)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C16H17ClFN/c1-3-16(12-5-7-13(18)8-6-12)19-14-9-4-11(2)15(17)10-14/h4-10,16,19H,3H2,1-2H3
InChIKeyRTPYAXKMUBWWHT-UHFFFAOYSA-N
MW277.77 g/mol
LogP5.35
Rot. Bonds4

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

3-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline (PubChem CID 43104292) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 3-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline.

Molecular Properties

Compound Name3-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
PubChem CID43104292
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name3-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
SMILESCCC(Nc1ccc(C)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C16H17ClFN/c1-3-16(12-5-7-13(18)8-6-12)19-14-9-4-11(2)15(17)10-14/h4-10,16,19H,3H2,1-2H3
InChIKeyRTPYAXKMUBWWHT-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.77
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-bromophenyl)propyl]-3-chloro-4-methylaniline
CID 43111547
3-chloro-N-[1-(4-chlorophenyl)propyl]-4-fluoroaniline
CID 43119213
4-[1-(3-chloro-4-fluoroanilino)propyl]phenol
CID 43119212
3-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-methylaniline
CID 43757451
3,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43099420
2-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
CID 43122613
3-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-methylaniline
CID 43503285
N-[1-(4-bromophenyl)propyl]-4-fluoroaniline
CID 43097882
N-(3-chloro-4-methylphenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine
CID 104721816
4-fluoro-3-methyl-N-(1-phenylpropyl)aniline
CID 62809853
N-[1-(4-fluorophenyl)propyl]-1,3-benzodioxol-5-amine
CID 43196975
N-(3-chloro-4-methylphenyl)-1-(2,5-difluorophenyl)ethane-1,2-diamine
CID 104721773

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline?
The IUPAC name of 3-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline (CID 43104292) is 3-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline.
What is the SMILES notation for 3-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline?
The canonical SMILES for 3-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline is CCC(Nc1ccc(C)c(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of 3-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline?
The InChIKey is RTPYAXKMUBWWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-3-16(12-5-7-13(18)8-6-12)19-14-9-4-11(2)15(17)10-14/h4-10,16,19H,3H2,1-2H3.
What are the key properties of 3-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline?
3-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline has a molecular weight of 277.77 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline is sourced from PubChem (CID 43104292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).