1-(4-butan-2-yloxy-3,5-difluorophenyl)butan-2-amine

C14H21F2NO — CID 79887538

IUPAC1-(4-butan-2-yloxy-3,5-difluorophenyl)butan-2-amine
SMILESCCC(N)Cc1cc(F)c(OC(C)CC)c(F)c1
InChIInChI=1S/C14H21F2NO/c1-4-9(3)18-14-12(15)7-10(8-13(14)16)6-11(17)5-2/h7-9,11H,4-6,17H2,1-3H3
InChIKeyAZZNPYDOFZKQQS-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.42
Rot. Bonds6

About 1-(4-butan-2-yloxy-3,5-difluorophenyl)butan-2-amine

1-(4-butan-2-yloxy-3,5-difluorophenyl)butan-2-amine (PubChem CID 79887538) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 1-(4-butan-2-yloxy-3,5-difluorophenyl)butan-2-amine.

Molecular Properties

Compound Name1-(4-butan-2-yloxy-3,5-difluorophenyl)butan-2-amine
PubChem CID79887538
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name1-(4-butan-2-yloxy-3,5-difluorophenyl)butan-2-amine
SMILESCCC(N)Cc1cc(F)c(OC(C)CC)c(F)c1
InChIInChI=1S/C14H21F2NO/c1-4-9(3)18-14-12(15)7-10(8-13(14)16)6-11(17)5-2/h7-9,11H,4-6,17H2,1-3H3
InChIKeyAZZNPYDOFZKQQS-UHFFFAOYSA-N
XLogP3.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3,5-difluoro-4-(2-methoxyethoxy)phenyl]butan-2-amine
CID 79888080
1-[3,5-dibromo-4-(difluoromethoxy)phenyl]butan-2-amine
CID 107739943
1-(3-chloro-4-ethoxy-5-fluorophenyl)butan-2-amine
CID 170890061
1-[4-(2-ethoxyethoxy)-3,5-difluorophenyl]butan-2-amine
CID 79887772
1-[4-(3-chloroprop-2-enoxy)-3,5-difluorophenyl]butan-2-amine
CID 79887693
1-(4-but-2-ynoxy-3,5-difluorophenyl)butan-2-amine
CID 79887773
1-[4-(3-bromophenoxy)-3,5-difluorophenyl]butan-2-amine
CID 63802603
1-[4-[(4-bromothiophen-2-yl)methoxy]-3,5-difluorophenyl]butan-2-amine
CID 79882803
4-(2-aminobutyl)-2,6-difluoro-N-methyl-N-propan-2-ylaniline
CID 63787264
1-[3,5-difluoro-4-(3-methylsulfonylpropoxy)phenyl]butan-2-amine
CID 79882804
4-butan-2-yloxy-3,5-difluorobenzoic acid
CID 63183576
1-[3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine
CID 79888395

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-yloxy-3,5-difluorophenyl)butan-2-amine?
The IUPAC name of 1-(4-butan-2-yloxy-3,5-difluorophenyl)butan-2-amine (CID 79887538) is 1-(4-butan-2-yloxy-3,5-difluorophenyl)butan-2-amine.
What is the SMILES notation for 1-(4-butan-2-yloxy-3,5-difluorophenyl)butan-2-amine?
The canonical SMILES for 1-(4-butan-2-yloxy-3,5-difluorophenyl)butan-2-amine is CCC(N)Cc1cc(F)c(OC(C)CC)c(F)c1.
What is the InChIKey of 1-(4-butan-2-yloxy-3,5-difluorophenyl)butan-2-amine?
The InChIKey is AZZNPYDOFZKQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-4-9(3)18-14-12(15)7-10(8-13(14)16)6-11(17)5-2/h7-9,11H,4-6,17H2,1-3H3.
What are the key properties of 1-(4-butan-2-yloxy-3,5-difluorophenyl)butan-2-amine?
1-(4-butan-2-yloxy-3,5-difluorophenyl)butan-2-amine has a molecular weight of 257.32 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-yloxy-3,5-difluorophenyl)butan-2-amine is sourced from PubChem (CID 79887538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).