2-chloro-4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]aniline

C16H17ClFNO — CID 43773952

IUPAC2-chloro-4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]aniline
SMILESCC(C)Oc1ccccc1CNc1ccc(F)cc1Cl
InChIInChI=1S/C16H17ClFNO/c1-11(2)20-16-6-4-3-5-12(16)10-19-15-8-7-13(18)9-14(15)17/h3-9,11,19H,10H2,1-2H3
InChIKeyLCDCYFVZUYHHME-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.88
Rot. Bonds5

About 2-chloro-4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]aniline

2-chloro-4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]aniline (PubChem CID 43773952) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]aniline
PubChem CID43773952
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name2-chloro-4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]aniline
SMILESCC(C)Oc1ccccc1CNc1ccc(F)cc1Cl
InChIInChI=1S/C16H17ClFNO/c1-11(2)20-16-6-4-3-5-12(16)10-19-15-8-7-13(18)9-14(15)17/h3-9,11,19H,10H2,1-2H3
InChIKeyLCDCYFVZUYHHME-UHFFFAOYSA-N
XLogP4.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-chloro-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 43774893
2-chloro-N-[(2-chlorophenyl)methyl]-4-fluoroaniline
CID 28878906
2,3-dichloro-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 39447537
2-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline
CID 28967609
5-chloro-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 39438809
3,5-dimethyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 39369011
2-chloro-4-fluoro-1-[(2-propan-2-yloxyphenyl)methylsulfonylmethyl]benzene
CID 87024513
2,5-dichloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline
CID 104726373
2,4-dichloro-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
CID 54795837
4-chloro-2-[(2-propan-2-yloxyphenyl)methylamino]benzonitrile
CID 43780520
N-[(2-chloro-4-fluorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 43217892
2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoroaniline
CID 43410815

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]aniline?
The IUPAC name of 2-chloro-4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]aniline (CID 43773952) is 2-chloro-4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]aniline.
What is the SMILES notation for 2-chloro-4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]aniline?
The canonical SMILES for 2-chloro-4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]aniline is CC(C)Oc1ccccc1CNc1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]aniline?
The InChIKey is LCDCYFVZUYHHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-11(2)20-16-6-4-3-5-12(16)10-19-15-8-7-13(18)9-14(15)17/h3-9,11,19H,10H2,1-2H3.
What are the key properties of 2-chloro-4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]aniline?
2-chloro-4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]aniline has a molecular weight of 293.77 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]aniline is sourced from PubChem (CID 43773952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).