N-[(3-aminocyclobutyl)methyl]-5-chloro-2-fluoroaniline

C11H14ClFN2 — CID 115213838

IUPACN-[(3-aminocyclobutyl)methyl]-5-chloro-2-fluoroaniline
SMILESNC1CC(CNc2cc(Cl)ccc2F)C1
InChIInChI=1S/C11H14ClFN2/c12-8-1-2-10(13)11(5-8)15-6-7-3-9(14)4-7/h1-2,5,7,9,15H,3-4,6,14H2
InChIKeyIIPZAUUZEJSGTC-UHFFFAOYSA-N
MW228.70 g/mol
LogP2.63
Rot. Bonds3

About N-[(3-aminocyclobutyl)methyl]-5-chloro-2-fluoroaniline

N-[(3-aminocyclobutyl)methyl]-5-chloro-2-fluoroaniline (PubChem CID 115213838) has the molecular formula C11H14ClFN2 and a molecular weight of 228.70 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]-5-chloro-2-fluoroaniline.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]-5-chloro-2-fluoroaniline
PubChem CID115213838
Molecular FormulaC11H14ClFN2
Molecular Weight228.70 g/mol
Exact Mass228.08
IUPAC NameN-[(3-aminocyclobutyl)methyl]-5-chloro-2-fluoroaniline
SMILESNC1CC(CNc2cc(Cl)ccc2F)C1
InChIInChI=1S/C11H14ClFN2/c12-8-1-2-10(13)11(5-8)15-6-7-3-9(14)4-7/h1-2,5,7,9,15H,3-4,6,14H2
InChIKeyIIPZAUUZEJSGTC-UHFFFAOYSA-N
XLogP2.63
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-fluoro-N-(oxan-4-ylmethyl)aniline
CID 62385301
4-chloro-2-N-(cyclopropylmethyl)benzene-1,2-diamine
CID 115468475
5-chloro-N-(cyclopropylmethyl)-2-methylsulfanylaniline
CID 130905382
N-[(3-aminocyclopentyl)methyl]-2,4,5-trifluoroaniline
CID 69483775
1-N-(5-chloro-2-fluorophenyl)cyclohexane-1,3-diamine
CID 79459416
4-chloro-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62658637
5-chloro-2-fluoro-N-(3-fluoropropyl)aniline
CID 81107052
2,4-dichloro-N-(cyclobutylmethyl)aniline
CID 65458024
N-(cyclopentylmethyl)-5-ethyl-2-fluoroaniline
CID 142361453
N-[(3-aminocyclobutyl)methyl]-2-methoxy-4,5-dimethylaniline
CID 115213789
5-chloro-N-(cyclohexylmethyl)-2-methoxyaniline
CID 43079026
2,5-dichloro-N-(oxolan-3-ylmethyl)aniline
CID 43191026

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclobutyl)methyl]-5-chloro-2-fluoroaniline?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]-5-chloro-2-fluoroaniline (CID 115213838) is N-[(3-aminocyclobutyl)methyl]-5-chloro-2-fluoroaniline.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]-5-chloro-2-fluoroaniline?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]-5-chloro-2-fluoroaniline is NC1CC(CNc2cc(Cl)ccc2F)C1.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]-5-chloro-2-fluoroaniline?
The InChIKey is IIPZAUUZEJSGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2/c12-8-1-2-10(13)11(5-8)15-6-7-3-9(14)4-7/h1-2,5,7,9,15H,3-4,6,14H2.
What are the key properties of N-[(3-aminocyclobutyl)methyl]-5-chloro-2-fluoroaniline?
N-[(3-aminocyclobutyl)methyl]-5-chloro-2-fluoroaniline has a molecular weight of 228.70 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclobutyl)methyl]-5-chloro-2-fluoroaniline is sourced from PubChem (CID 115213838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).