2-chloro-N-(3-ethoxypropyl)-4-fluoroaniline

C11H15ClFNO — CID 65175214

IUPAC2-chloro-N-(3-ethoxypropyl)-4-fluoroaniline
SMILESCCOCCCNc1ccc(F)cc1Cl
InChIInChI=1S/C11H15ClFNO/c1-2-15-7-3-6-14-11-5-4-9(13)8-10(11)12/h4-5,8,14H,2-3,6-7H2,1H3
InChIKeyCAQKHIUXWQFEMO-UHFFFAOYSA-N
MW231.70 g/mol
LogP3.32
Rot. Bonds6

About 2-chloro-N-(3-ethoxypropyl)-4-fluoroaniline

2-chloro-N-(3-ethoxypropyl)-4-fluoroaniline (PubChem CID 65175214) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 2-chloro-N-(3-ethoxypropyl)-4-fluoroaniline.

Molecular Properties

Compound Name2-chloro-N-(3-ethoxypropyl)-4-fluoroaniline
PubChem CID65175214
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name2-chloro-N-(3-ethoxypropyl)-4-fluoroaniline
SMILESCCOCCCNc1ccc(F)cc1Cl
InChIInChI=1S/C11H15ClFNO/c1-2-15-7-3-6-14-11-5-4-9(13)8-10(11)12/h4-5,8,14H,2-3,6-7H2,1H3
InChIKeyCAQKHIUXWQFEMO-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-chloro-N-(2-ethoxyethyl)-4-fluoroaniline
CID 43387861
N-(3-ethoxypropyl)-4-fluoro-2-iodoaniline
CID 79769660
2-chloro-N-(3-ethoxypropyl)-4-iodoaniline
CID 107606523
2-chloro-4-fluoro-N-(2-propoxyethyl)aniline
CID 106451563
2-chloro-N-(3,3-diethoxypropyl)-4-fluoroaniline
CID 81094478
methyl 4-(2-chloro-4-fluoroanilino)butanoate
CID 43377980
N-[(2-chloro-5-fluorophenyl)methyl]-3-ethoxypropan-1-amine
CID 102615423
4-chloro-1-N-(3-ethoxypropyl)benzene-1,2-diamine
CID 28904711
2-chloro-N-(3,3-dimethylbutyl)-4-fluoroaniline
CID 63425145
2-chloro-N-(2-ethylsulfonylethyl)-4-fluoroaniline
CID 43807712
1-(2-chloro-5-fluorophenyl)-3-(3-ethoxypropyl)thiourea
CID 113231125
4-(2-chloro-4-fluoroanilino)butanoic acid
CID 18072403

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-ethoxypropyl)-4-fluoroaniline?
The IUPAC name of 2-chloro-N-(3-ethoxypropyl)-4-fluoroaniline (CID 65175214) is 2-chloro-N-(3-ethoxypropyl)-4-fluoroaniline.
What is the SMILES notation for 2-chloro-N-(3-ethoxypropyl)-4-fluoroaniline?
The canonical SMILES for 2-chloro-N-(3-ethoxypropyl)-4-fluoroaniline is CCOCCCNc1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-(3-ethoxypropyl)-4-fluoroaniline?
The InChIKey is CAQKHIUXWQFEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-2-15-7-3-6-14-11-5-4-9(13)8-10(11)12/h4-5,8,14H,2-3,6-7H2,1H3.
What are the key properties of 2-chloro-N-(3-ethoxypropyl)-4-fluoroaniline?
2-chloro-N-(3-ethoxypropyl)-4-fluoroaniline 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 2-chloro-N-(3-ethoxypropyl)-4-fluoroaniline is sourced from PubChem (CID 65175214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).