3-chloro-5-fluoro-N-(3-methoxybutan-2-yl)aniline

C11H15ClFNO — CID 115928758

IUPAC3-chloro-5-fluoro-N-(3-methoxybutan-2-yl)aniline
SMILESCOC(C)C(C)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C11H15ClFNO/c1-7(8(2)15-3)14-11-5-9(12)4-10(13)6-11/h4-8,14H,1-3H3
InChIKeyFGNOHXLOPPWMIY-UHFFFAOYSA-N
MW231.70 g/mol
LogP3.31
Rot. Bonds4

About 3-chloro-5-fluoro-N-(3-methoxybutan-2-yl)aniline

3-chloro-5-fluoro-N-(3-methoxybutan-2-yl)aniline (PubChem CID 115928758) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 3-chloro-5-fluoro-N-(3-methoxybutan-2-yl)aniline.

Molecular Properties

Compound Name3-chloro-5-fluoro-N-(3-methoxybutan-2-yl)aniline
PubChem CID115928758
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name3-chloro-5-fluoro-N-(3-methoxybutan-2-yl)aniline
SMILESCOC(C)C(C)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C11H15ClFNO/c1-7(8(2)15-3)14-11-5-9(12)4-10(13)6-11/h4-8,14H,1-3H3
InChIKeyFGNOHXLOPPWMIY-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-N-(3-methoxybutan-2-yl)pyridin-3-amine
CID 130497123
N-but-3-yn-2-yl-3-chloro-5-fluoroaniline
CID 107364846
4-fluoro-N-(3-methoxybutan-2-yl)-3-methylaniline
CID 115922494
2-(3-chloro-5-fluoroanilino)propanoic acid
CID 107363833
3-chloro-N-(2,2-dimethoxyethyl)-5-fluoroaniline
CID 107364290
3-chloro-N-(1,1-dimethoxypropan-2-yl)-5-(trifluoromethyl)aniline
CID 116699143
3-chloro-5-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 107364338
3-chloro-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline
CID 107364141
3-chloro-5-fluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 107363886
2-(3-chloro-5-fluoroanilino)-N-propan-2-ylpropanamide
CID 107365072
3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline
CID 107363878
3-chloro-5-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
CID 107364132

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-N-(3-methoxybutan-2-yl)aniline?
The IUPAC name of 3-chloro-5-fluoro-N-(3-methoxybutan-2-yl)aniline (CID 115928758) is 3-chloro-5-fluoro-N-(3-methoxybutan-2-yl)aniline.
What is the SMILES notation for 3-chloro-5-fluoro-N-(3-methoxybutan-2-yl)aniline?
The canonical SMILES for 3-chloro-5-fluoro-N-(3-methoxybutan-2-yl)aniline is COC(C)C(C)Nc1cc(F)cc(Cl)c1.
What is the InChIKey of 3-chloro-5-fluoro-N-(3-methoxybutan-2-yl)aniline?
The InChIKey is FGNOHXLOPPWMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-7(8(2)15-3)14-11-5-9(12)4-10(13)6-11/h4-8,14H,1-3H3.
What are the key properties of 3-chloro-5-fluoro-N-(3-methoxybutan-2-yl)aniline?
3-chloro-5-fluoro-N-(3-methoxybutan-2-yl)aniline has a molecular weight of 231.70 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-N-(3-methoxybutan-2-yl)aniline is sourced from PubChem (CID 115928758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).