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

C14H13ClFNO — CID 39365277

IUPAC3-chloro-4-fluoro-N-(2-phenoxyethyl)aniline
SMILESFc1ccc(NCCOc2ccccc2)cc1Cl
InChIInChI=1S/C14H13ClFNO/c15-13-10-11(6-7-14(13)16)17-8-9-18-12-4-2-1-3-5-12/h1-7,10,17H,8-9H2
InChIKeyMAVDPJYPCPHKAL-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.97
Rot. Bonds5

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

3-chloro-4-fluoro-N-(2-phenoxyethyl)aniline (PubChem CID 39365277) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(2-phenoxyethyl)aniline.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(2-phenoxyethyl)aniline
PubChem CID39365277
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name3-chloro-4-fluoro-N-(2-phenoxyethyl)aniline
SMILESFc1ccc(NCCOc2ccccc2)cc1Cl
InChIInChI=1S/C14H13ClFNO/c15-13-10-11(6-7-14(13)16)17-8-9-18-12-4-2-1-3-5-12/h1-7,10,17H,8-9H2
InChIKeyMAVDPJYPCPHKAL-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.97
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

3-chloro-4-fluoro-N-(4-phenoxybutyl)aniline
CID 82095796
3-chloro-4-methyl-N-(3-phenoxypropyl)aniline
CID 63489969
4-fluoro-3-methoxy-N-(2-phenoxyethyl)aniline
CID 114839538
N-(3-chloro-4-fluorophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54822742
N'-(3-chloro-4-fluorophenyl)-N-[4-(3-methylbutoxy)phenyl]ethane-1,2-diamine
CID 54809601
4-N-(2-phenoxyethyl)benzene-1,2,4-triamine
CID 106750634
3-chloro-N-[2-(2,5-dimethylphenoxy)ethyl]-4-fluoroaniline
CID 54798350
N-(3-chloro-4-fluorophenyl)-2-phenoxyacetamide
CID 924892
3-(3-chloro-4-fluorophenyl)-1-methyl-1-(2-phenoxyethyl)thiourea
CID 8768378
2-chloro-4,6-difluoro-N-(3-phenoxypropyl)aniline
CID 83088365
3-chloro-4-fluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]aniline
CID 39446920
3-chloro-N-[2-(2,4-ditert-butylphenoxy)ethyl]-4-fluoroaniline
CID 54798275

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(2-phenoxyethyl)aniline?
The IUPAC name of 3-chloro-4-fluoro-N-(2-phenoxyethyl)aniline (CID 39365277) is 3-chloro-4-fluoro-N-(2-phenoxyethyl)aniline.
What is the SMILES notation for 3-chloro-4-fluoro-N-(2-phenoxyethyl)aniline?
The canonical SMILES for 3-chloro-4-fluoro-N-(2-phenoxyethyl)aniline is Fc1ccc(NCCOc2ccccc2)cc1Cl.
What is the InChIKey of 3-chloro-4-fluoro-N-(2-phenoxyethyl)aniline?
The InChIKey is MAVDPJYPCPHKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c15-13-10-11(6-7-14(13)16)17-8-9-18-12-4-2-1-3-5-12/h1-7,10,17H,8-9H2.
What are the key properties of 3-chloro-4-fluoro-N-(2-phenoxyethyl)aniline?
3-chloro-4-fluoro-N-(2-phenoxyethyl)aniline has a molecular weight of 265.72 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(2-phenoxyethyl)aniline is sourced from PubChem (CID 39365277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).