5-chloro-2-fluoro-N-(4-methoxybutyl)aniline

C11H15ClFNO — CID 115735656

IUPAC5-chloro-2-fluoro-N-(4-methoxybutyl)aniline
SMILESCOCCCCNc1cc(Cl)ccc1F
InChIInChI=1S/C11H15ClFNO/c1-15-7-3-2-6-14-11-8-9(12)4-5-10(11)13/h4-5,8,14H,2-3,6-7H2,1H3
InChIKeyMIWSYNGHMLQXCG-UHFFFAOYSA-N
MW231.70 g/mol
LogP3.32
Rot. Bonds6

About 5-chloro-2-fluoro-N-(4-methoxybutyl)aniline

5-chloro-2-fluoro-N-(4-methoxybutyl)aniline (PubChem CID 115735656) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(4-methoxybutyl)aniline.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(4-methoxybutyl)aniline
PubChem CID115735656
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name5-chloro-2-fluoro-N-(4-methoxybutyl)aniline
SMILESCOCCCCNc1cc(Cl)ccc1F
InChIInChI=1S/C11H15ClFNO/c1-15-7-3-2-6-14-11-8-9(12)4-5-10(11)13/h4-5,8,14H,2-3,6-7H2,1H3
InChIKeyMIWSYNGHMLQXCG-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3,4-trifluoro-N-(4-methoxybutyl)aniline
CID 115735659
5-chloro-2-fluoro-N-(3-fluoropropyl)aniline
CID 81107052
2,4-difluoro-N-(4-methoxybutyl)aniline
CID 115776867
3-bromo-4-fluoro-N-(4-methoxybutyl)aniline
CID 115776909
2,5-dichloro-N-(2-methoxyethyl)aniline
CID 28568177
2,5-difluoro-N-(2-methoxyethyl)aniline
CID 28574542
1-N-(5-chloro-2-fluorophenyl)-4-methylpentane-1,4-diamine
CID 115205164
5-chloro-2-fluoro-N-(2-propan-2-yloxyethyl)aniline
CID 60680287
4-fluoro-2-N-(4-methoxybutyl)benzene-1,2-diamine
CID 58355547
3-fluoro-4-(4-methoxybutylamino)benzoic acid
CID 62710161
5-bromo-2-fluoro-N-[2-(3-methoxypropoxy)ethyl]aniline
CID 103178584
5-chloro-2-ethyl-N-(2-methoxyethyl)aniline
CID 70287582

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(4-methoxybutyl)aniline?
The IUPAC name of 5-chloro-2-fluoro-N-(4-methoxybutyl)aniline (CID 115735656) is 5-chloro-2-fluoro-N-(4-methoxybutyl)aniline.
What is the SMILES notation for 5-chloro-2-fluoro-N-(4-methoxybutyl)aniline?
The canonical SMILES for 5-chloro-2-fluoro-N-(4-methoxybutyl)aniline is COCCCCNc1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-(4-methoxybutyl)aniline?
The InChIKey is MIWSYNGHMLQXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-15-7-3-2-6-14-11-8-9(12)4-5-10(11)13/h4-5,8,14H,2-3,6-7H2,1H3.
What are the key properties of 5-chloro-2-fluoro-N-(4-methoxybutyl)aniline?
5-chloro-2-fluoro-N-(4-methoxybutyl)aniline has a molecular weight of 231.70 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-(4-methoxybutyl)aniline is sourced from PubChem (CID 115735656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).