5-chloro-2-fluoro-N-(2-propan-2-yloxyethyl)aniline

C11H15ClFNO — CID 60680287

IUPAC5-chloro-2-fluoro-N-(2-propan-2-yloxyethyl)aniline
SMILESCC(C)OCCNc1cc(Cl)ccc1F
InChIInChI=1S/C11H15ClFNO/c1-8(2)15-6-5-14-11-7-9(12)3-4-10(11)13/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyPMQRBVDMLXLQFM-UHFFFAOYSA-N
MW231.70 g/mol
LogP3.32
Rot. Bonds5

About 5-chloro-2-fluoro-N-(2-propan-2-yloxyethyl)aniline

5-chloro-2-fluoro-N-(2-propan-2-yloxyethyl)aniline (PubChem CID 60680287) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(2-propan-2-yloxyethyl)aniline.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(2-propan-2-yloxyethyl)aniline
PubChem CID60680287
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name5-chloro-2-fluoro-N-(2-propan-2-yloxyethyl)aniline
SMILESCC(C)OCCNc1cc(Cl)ccc1F
InChIInChI=1S/C11H15ClFNO/c1-8(2)15-6-5-14-11-7-9(12)3-4-10(11)13/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyPMQRBVDMLXLQFM-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

5-bromo-2-fluoro-N-(2-propan-2-yloxyethyl)aniline
CID 61485154
4-chloro-N-(2-propan-2-yloxyethyl)aniline
CID 60678961
5-chloro-2-fluoro-N-(4-methoxybutyl)aniline
CID 115735656
2-chloro-5-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 103768047
3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)aniline
CID 62809594
5-chloro-2-fluoro-N-(3-fluoropropyl)aniline
CID 81107052
N-[(4-chloro-3-fluorophenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588223
4-bromo-5-fluoro-1-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine
CID 104758724
5-chloro-N-(2-propan-2-yloxyethyl)-2-(propylamino)benzamide
CID 104765587
5-fluoro-2-(2-propan-2-yloxyethylamino)benzoic acid
CID 104765923
2,5-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451146
3-chloro-1-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine
CID 104834865

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(2-propan-2-yloxyethyl)aniline?
The IUPAC name of 5-chloro-2-fluoro-N-(2-propan-2-yloxyethyl)aniline (CID 60680287) is 5-chloro-2-fluoro-N-(2-propan-2-yloxyethyl)aniline.
What is the SMILES notation for 5-chloro-2-fluoro-N-(2-propan-2-yloxyethyl)aniline?
The canonical SMILES for 5-chloro-2-fluoro-N-(2-propan-2-yloxyethyl)aniline is CC(C)OCCNc1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-(2-propan-2-yloxyethyl)aniline?
The InChIKey is PMQRBVDMLXLQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-8(2)15-6-5-14-11-7-9(12)3-4-10(11)13/h3-4,7-8,14H,5-6H2,1-2H3.
What are the key properties of 5-chloro-2-fluoro-N-(2-propan-2-yloxyethyl)aniline?
5-chloro-2-fluoro-N-(2-propan-2-yloxyethyl)aniline has a molecular weight of 231.70 g/mol, XLogP of 3.32, 5 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-(2-propan-2-yloxyethyl)aniline is sourced from PubChem (CID 60680287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).