1-[4-(2-fluoroethoxy)-3,5-dimethylphenyl]butan-2-amine

C14H22FNO — CID 80695276

IUPAC1-[4-(2-fluoroethoxy)-3,5-dimethylphenyl]butan-2-amine
SMILESCCC(N)Cc1cc(C)c(OCCF)c(C)c1
InChIInChI=1S/C14H22FNO/c1-4-13(16)9-12-7-10(2)14(11(3)8-12)17-6-5-15/h7-8,13H,4-6,9,16H2,1-3H3
InChIKeyOFKDRVPDAFCQFR-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.93
Rot. Bonds6

About 1-[4-(2-fluoroethoxy)-3,5-dimethylphenyl]butan-2-amine

1-[4-(2-fluoroethoxy)-3,5-dimethylphenyl]butan-2-amine (PubChem CID 80695276) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-[4-(2-fluoroethoxy)-3,5-dimethylphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(2-fluoroethoxy)-3,5-dimethylphenyl]butan-2-amine
PubChem CID80695276
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-[4-(2-fluoroethoxy)-3,5-dimethylphenyl]butan-2-amine
SMILESCCC(N)Cc1cc(C)c(OCCF)c(C)c1
InChIInChI=1S/C14H22FNO/c1-4-13(16)9-12-7-10(2)14(11(3)8-12)17-6-5-15/h7-8,13H,4-6,9,16H2,1-3H3
InChIKeyOFKDRVPDAFCQFR-UHFFFAOYSA-N
XLogP2.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890397
3-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide
CID 60907081
4-[4-(2-aminobutyl)-2,6-dimethylphenoxy]butanenitrile
CID 54930345
1-[3,5-dimethyl-4-(2-methylsulfonylethoxy)phenyl]butan-2-amine
CID 60915943
2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]acetonitrile
CID 54930389
1-(4-but-2-ynoxy-3,5-dimethylphenyl)butan-2-amine
CID 62311991
2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]-N-methylacetamide
CID 54930344
1-(4-butoxy-3,5-dimethylphenyl)propan-2-amine
CID 54930520
1-[3,5-difluoro-4-(2-methoxyethoxy)phenyl]butan-2-amine
CID 79888080
1-[3,5-dimethyl-4-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine
CID 103136573
1-[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine
CID 60907942
1-[4-(2-ethoxyethoxy)-3,5-difluorophenyl]butan-2-amine
CID 79887772

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoroethoxy)-3,5-dimethylphenyl]butan-2-amine?
The IUPAC name of 1-[4-(2-fluoroethoxy)-3,5-dimethylphenyl]butan-2-amine (CID 80695276) is 1-[4-(2-fluoroethoxy)-3,5-dimethylphenyl]butan-2-amine.
What is the SMILES notation for 1-[4-(2-fluoroethoxy)-3,5-dimethylphenyl]butan-2-amine?
The canonical SMILES for 1-[4-(2-fluoroethoxy)-3,5-dimethylphenyl]butan-2-amine is CCC(N)Cc1cc(C)c(OCCF)c(C)c1.
What is the InChIKey of 1-[4-(2-fluoroethoxy)-3,5-dimethylphenyl]butan-2-amine?
The InChIKey is OFKDRVPDAFCQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-4-13(16)9-12-7-10(2)14(11(3)8-12)17-6-5-15/h7-8,13H,4-6,9,16H2,1-3H3.
What are the key properties of 1-[4-(2-fluoroethoxy)-3,5-dimethylphenyl]butan-2-amine?
1-[4-(2-fluoroethoxy)-3,5-dimethylphenyl]butan-2-amine has a molecular weight of 239.33 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoroethoxy)-3,5-dimethylphenyl]butan-2-amine is sourced from PubChem (CID 80695276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).