5-chloro-N-(3-fluoropropyl)-2-methoxyaniline

C10H13ClFNO — CID 81106313

IUPAC5-chloro-N-(3-fluoropropyl)-2-methoxyaniline
SMILESCOc1ccc(Cl)cc1NCCCF
InChIInChI=1S/C10H13ClFNO/c1-14-10-4-3-8(11)7-9(10)13-6-2-5-12/h3-4,7,13H,2,5-6H2,1H3
InChIKeyZFPSQRXTHQTCFJ-UHFFFAOYSA-N
MW217.67 g/mol
LogP3.12
Rot. Bonds5

About 5-chloro-N-(3-fluoropropyl)-2-methoxyaniline

5-chloro-N-(3-fluoropropyl)-2-methoxyaniline (PubChem CID 81106313) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 5-chloro-N-(3-fluoropropyl)-2-methoxyaniline.

Molecular Properties

Compound Name5-chloro-N-(3-fluoropropyl)-2-methoxyaniline
PubChem CID81106313
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name5-chloro-N-(3-fluoropropyl)-2-methoxyaniline
SMILESCOc1ccc(Cl)cc1NCCCF
InChIInChI=1S/C10H13ClFNO/c1-14-10-4-3-8(11)7-9(10)13-6-2-5-12/h3-4,7,13H,2,5-6H2,1H3
InChIKeyZFPSQRXTHQTCFJ-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 53.12
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-chloro-N-(2-fluoroethyl)-2-methoxyaniline
CID 80700235
5-chloro-2-fluoro-N-(3-fluoropropyl)aniline
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5-(5-chloro-2-methoxyanilino)pentanenitrile
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5-chloro-2-methoxy-N-[2-(2-methylpropoxy)ethyl]aniline
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4-(5-chloro-2-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061908
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N-(3-chlorophenyl)-N'-(2,5-dimethoxyphenyl)ethane-1,2-diamine
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N-(2-fluoroethyl)-2-methoxy-5-methylaniline
CID 80699786
5-chloro-N-(2-ethylbutyl)-2-methoxyaniline
CID 29289314
N-(1-amino-2-methylpropan-2-yl)-3-(5-chloro-2-methoxyanilino)propanamide
CID 119525101
5-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyaniline
CID 65022123
N'-(5-tert-butyl-2-methoxyphenyl)butane-1,4-diamine
CID 115200968

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-fluoropropyl)-2-methoxyaniline?
The IUPAC name of 5-chloro-N-(3-fluoropropyl)-2-methoxyaniline (CID 81106313) is 5-chloro-N-(3-fluoropropyl)-2-methoxyaniline.
What is the SMILES notation for 5-chloro-N-(3-fluoropropyl)-2-methoxyaniline?
The canonical SMILES for 5-chloro-N-(3-fluoropropyl)-2-methoxyaniline is COc1ccc(Cl)cc1NCCCF.
What is the InChIKey of 5-chloro-N-(3-fluoropropyl)-2-methoxyaniline?
The InChIKey is ZFPSQRXTHQTCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-14-10-4-3-8(11)7-9(10)13-6-2-5-12/h3-4,7,13H,2,5-6H2,1H3.
What are the key properties of 5-chloro-N-(3-fluoropropyl)-2-methoxyaniline?
5-chloro-N-(3-fluoropropyl)-2-methoxyaniline has a molecular weight of 217.67 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-fluoropropyl)-2-methoxyaniline is sourced from PubChem (CID 81106313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).