4-chloro-3-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline

C17H19ClFNO — CID 43786115

IUPAC4-chloro-3-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
SMILESCOc1ccc(CCC(C)Nc2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C17H19ClFNO/c1-12(20-14-7-10-16(18)17(19)11-14)3-4-13-5-8-15(21-2)9-6-13/h5-12,20H,3-4H2,1-2H3
InChIKeyZSQOEOWLUVNCBY-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.92
Rot. Bonds6

About 4-chloro-3-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline

4-chloro-3-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline (PubChem CID 43786115) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
PubChem CID43786115
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name4-chloro-3-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
SMILESCOc1ccc(CCC(C)Nc2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C17H19ClFNO/c1-12(20-14-7-10-16(18)17(19)11-14)3-4-13-5-8-15(21-2)9-6-13/h5-12,20H,3-4H2,1-2H3
InChIKeyZSQOEOWLUVNCBY-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
CID 43760298
3-chloro-5-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
CID 107364132
5-[4-(4-methoxyphenyl)butan-2-ylamino]-2-methylphenol
CID 107699770
4-chloro-3-fluoro-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43721457
1-(4-chloro-3-fluorophenyl)-4-(4-methoxyphenyl)butan-2-amine
CID 107892055
(2S)-N-[(3,4-dichlorophenyl)methyl]-4-(4-methoxyphenyl)butan-2-amine
CID 784034
5-bromo-2-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
CID 43777522
1-chloro-2-fluoro-4-[2-(4-methoxyphenyl)ethoxy]benzene
CID 82727338
3,4-dichloro-N-(4-phenylbutan-2-yl)aniline
CID 43110414
1-(2-chloro-5-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 105397498
3-methoxy-N-[(2S)-4-phenylbutan-2-yl]aniline
CID 29291478
2-chloro-4-[1-(4-methoxyphenyl)propan-2-ylamino]benzonitrile
CID 43508838

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline?
The IUPAC name of 4-chloro-3-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline (CID 43786115) is 4-chloro-3-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline.
What is the SMILES notation for 4-chloro-3-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline?
The canonical SMILES for 4-chloro-3-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline is COc1ccc(CCC(C)Nc2ccc(Cl)c(F)c2)cc1.
What is the InChIKey of 4-chloro-3-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline?
The InChIKey is ZSQOEOWLUVNCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-12(20-14-7-10-16(18)17(19)11-14)3-4-13-5-8-15(21-2)9-6-13/h5-12,20H,3-4H2,1-2H3.
What are the key properties of 4-chloro-3-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline?
4-chloro-3-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline has a molecular weight of 307.80 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline is sourced from PubChem (CID 43786115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).