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

C16H17F2NO — CID 82138081

IUPAC4-(4-fluorophenoxy)-2-(4-fluorophenyl)butan-1-amine
SMILESNCC(CCOc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H17F2NO/c17-14-3-1-12(2-4-14)13(11-19)9-10-20-16-7-5-15(18)6-8-16/h1-8,13H,9-11,19H2
InChIKeyPTHQQWBCPBIZGA-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.48
Rot. Bonds6

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

4-(4-fluorophenoxy)-2-(4-fluorophenyl)butan-1-amine (PubChem CID 82138081) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-2-(4-fluorophenyl)butan-1-amine.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-2-(4-fluorophenyl)butan-1-amine
PubChem CID82138081
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name4-(4-fluorophenoxy)-2-(4-fluorophenyl)butan-1-amine
SMILESNCC(CCOc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H17F2NO/c17-14-3-1-12(2-4-14)13(11-19)9-10-20-16-7-5-15(18)6-8-16/h1-8,13H,9-11,19H2
InChIKeyPTHQQWBCPBIZGA-UHFFFAOYSA-N
XLogP3.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-ethoxyphenoxy)-2-(4-fluorophenyl)butan-1-amine
CID 82138103
4-(4-fluorophenoxy)-2-(3-methoxyphenyl)butan-1-amine
CID 82138439
2-(4-fluorophenyl)-4-(3-methylbutoxy)butan-1-amine
CID 79442251
4-(2-fluorophenoxy)-2-(4-methoxyphenyl)butan-1-amine
CID 82138375
2-(4-ethoxyphenyl)pentan-1-amine
CID 112507782
2-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 117244962
4-(3,4-difluorophenoxy)-2-(3-fluorophenyl)butan-1-amine
CID 82138332
2-(4-fluorophenyl)hexan-1-amine
CID 79442321
2-[2-(4-fluorophenoxy)ethylsulfanyl]propan-1-amine
CID 66242289
4-(2-fluorophenoxy)-2-(4-methylphenyl)butan-1-amine
CID 82138025
2-(4-fluorophenyl)-6-methylheptan-1-amine
CID 83169540
2-(4-fluorophenyl)-N',N'-dimethylbutane-1,4-diamine
CID 82077975

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-2-(4-fluorophenyl)butan-1-amine?
The IUPAC name of 4-(4-fluorophenoxy)-2-(4-fluorophenyl)butan-1-amine (CID 82138081) is 4-(4-fluorophenoxy)-2-(4-fluorophenyl)butan-1-amine.
What is the SMILES notation for 4-(4-fluorophenoxy)-2-(4-fluorophenyl)butan-1-amine?
The canonical SMILES for 4-(4-fluorophenoxy)-2-(4-fluorophenyl)butan-1-amine is NCC(CCOc1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)-2-(4-fluorophenyl)butan-1-amine?
The InChIKey is PTHQQWBCPBIZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c17-14-3-1-12(2-4-14)13(11-19)9-10-20-16-7-5-15(18)6-8-16/h1-8,13H,9-11,19H2.
What are the key properties of 4-(4-fluorophenoxy)-2-(4-fluorophenyl)butan-1-amine?
4-(4-fluorophenoxy)-2-(4-fluorophenyl)butan-1-amine has a molecular weight of 277.31 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-2-(4-fluorophenyl)butan-1-amine is sourced from PubChem (CID 82138081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).