4-chloro-2-fluoro-N-(3-methylcyclobutyl)aniline

C11H13ClFN — CID 103561326

IUPAC4-chloro-2-fluoro-N-(3-methylcyclobutyl)aniline
SMILESCC1CC(Nc2ccc(Cl)cc2F)C1
InChIInChI=1S/C11H13ClFN/c1-7-4-9(5-7)14-11-3-2-8(12)6-10(11)13/h2-3,6-7,9,14H,4-5H2,1H3
InChIKeyFOTQYSWTGJWQKJ-UHFFFAOYSA-N
MW213.68 g/mol
LogP3.69
Rot. Bonds2

About 4-chloro-2-fluoro-N-(3-methylcyclobutyl)aniline

4-chloro-2-fluoro-N-(3-methylcyclobutyl)aniline (PubChem CID 103561326) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-(3-methylcyclobutyl)aniline.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-(3-methylcyclobutyl)aniline
PubChem CID103561326
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name4-chloro-2-fluoro-N-(3-methylcyclobutyl)aniline
SMILESCC1CC(Nc2ccc(Cl)cc2F)C1
InChIInChI=1S/C11H13ClFN/c1-7-4-9(5-7)14-11-3-2-8(12)6-10(11)13/h2-3,6-7,9,14H,4-5H2,1H3
InChIKeyFOTQYSWTGJWQKJ-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-fluoro-N-(3-methoxycyclobutyl)aniline
CID 106821360
4-chloro-2-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]aniline
CID 43716640
4-chloro-N-cyclohexyl-2-fluoroaniline
CID 43716554
5-chloro-2-fluoro-N-(4-methylcyclohexyl)aniline
CID 43438410
2,4-dichloro-N-(3-methylcyclopentyl)aniline
CID 64502454
3,4-difluoro-N-(3-methylcyclobutyl)aniline
CID 104860122
2,4-difluoro-N-(3-methylcyclohexyl)aniline
CID 43104581
5-chloro-N-(3,5-dimethylcyclohexyl)-3-fluoropyridin-2-amine
CID 79727237
N-(4-chloro-2-fluorophenyl)-1-propylpiperidin-4-amine
CID 43716478
N-(4-chloro-2-fluorophenyl)-4-ethylcycloheptan-1-amine
CID 65084049
4-chloro-2-methyl-N-(3-methylcyclohexyl)aniline
CID 43111567
2-chloro-N-(3-methylcyclobutyl)aniline
CID 104860161

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-(3-methylcyclobutyl)aniline?
The IUPAC name of 4-chloro-2-fluoro-N-(3-methylcyclobutyl)aniline (CID 103561326) is 4-chloro-2-fluoro-N-(3-methylcyclobutyl)aniline.
What is the SMILES notation for 4-chloro-2-fluoro-N-(3-methylcyclobutyl)aniline?
The canonical SMILES for 4-chloro-2-fluoro-N-(3-methylcyclobutyl)aniline is CC1CC(Nc2ccc(Cl)cc2F)C1.
What is the InChIKey of 4-chloro-2-fluoro-N-(3-methylcyclobutyl)aniline?
The InChIKey is FOTQYSWTGJWQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN/c1-7-4-9(5-7)14-11-3-2-8(12)6-10(11)13/h2-3,6-7,9,14H,4-5H2,1H3.
What are the key properties of 4-chloro-2-fluoro-N-(3-methylcyclobutyl)aniline?
4-chloro-2-fluoro-N-(3-methylcyclobutyl)aniline has a molecular weight of 213.68 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-(3-methylcyclobutyl)aniline is sourced from PubChem (CID 103561326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).