4-(2-chloro-4-fluorophenoxy)butan-1-amine

C10H13ClFNO — CID 60971169

IUPAC4-(2-chloro-4-fluorophenoxy)butan-1-amine
SMILESNCCCCOc1ccc(F)cc1Cl
InChIInChI=1S/C10H13ClFNO/c11-9-7-8(12)3-4-10(9)14-6-2-1-5-13/h3-4,7H,1-2,5-6,13H2
InChIKeySWNVLJSJLNNMGX-UHFFFAOYSA-N
MW217.67 g/mol
LogP2.60
Rot. Bonds5

About 4-(2-chloro-4-fluorophenoxy)butan-1-amine

4-(2-chloro-4-fluorophenoxy)butan-1-amine (PubChem CID 60971169) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenoxy)butan-1-amine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenoxy)butan-1-amine
PubChem CID60971169
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name4-(2-chloro-4-fluorophenoxy)butan-1-amine
SMILESNCCCCOc1ccc(F)cc1Cl
InChIInChI=1S/C10H13ClFNO/c11-9-7-8(12)3-4-10(9)14-6-2-1-5-13/h3-4,7H,1-2,5-6,13H2
InChIKeySWNVLJSJLNNMGX-UHFFFAOYSA-N
XLogP2.60
TPSA35.25 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 ≤ 52.60
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

6-(2,4-dichlorophenoxy)hexan-1-amine
CID 21467390
4-(2,4-difluorophenoxy)butan-1-amine;hydrochloride
CID 86262593
2-(2-chloro-4-fluorophenoxy)ethanethiol
CID 79019887
2-[4-[2-(2-chloro-4-fluorophenoxy)ethoxy]phenyl]ethanamine
CID 60971172
5-[3-(2,4-difluorophenoxy)propoxy]pentan-1-amine
CID 82353628
5-(2-chloro-4-fluorophenoxy)-N-ethylpentan-1-amine
CID 62451735
2-(2-bromo-4-fluorophenoxy)ethanamine
CID 22688771
2-chloro-1-[2-(2-chloroethoxy)ethoxy]-4-fluorobenzene
CID 63665649
5-(2-chloro-4-fluorophenoxy)-N-propylpentan-1-amine
CID 62451912
3-[2-chloro-4-(trifluoromethyl)phenoxy]propan-1-amine
CID 83409127
3-(2-chloro-4-fluorophenoxy)propanoic acid
CID 16778332
6-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711821

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenoxy)butan-1-amine?
The IUPAC name of 4-(2-chloro-4-fluorophenoxy)butan-1-amine (CID 60971169) is 4-(2-chloro-4-fluorophenoxy)butan-1-amine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenoxy)butan-1-amine?
The canonical SMILES for 4-(2-chloro-4-fluorophenoxy)butan-1-amine is NCCCCOc1ccc(F)cc1Cl.
What is the InChIKey of 4-(2-chloro-4-fluorophenoxy)butan-1-amine?
The InChIKey is SWNVLJSJLNNMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c11-9-7-8(12)3-4-10(9)14-6-2-1-5-13/h3-4,7H,1-2,5-6,13H2.
What are the key properties of 4-(2-chloro-4-fluorophenoxy)butan-1-amine?
4-(2-chloro-4-fluorophenoxy)butan-1-amine has a molecular weight of 217.67 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenoxy)butan-1-amine is sourced from PubChem (CID 60971169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).