1-(4,5-difluoro-2-propoxyphenyl)butan-2-amine

C13H19F2NO — CID 170890380

IUPAC1-(4,5-difluoro-2-propoxyphenyl)butan-2-amine
SMILESCCCOc1cc(F)c(F)cc1CC(N)CC
InChIInChI=1S/C13H19F2NO/c1-3-5-17-13-8-12(15)11(14)7-9(13)6-10(16)4-2/h7-8,10H,3-6,16H2,1-2H3
InChIKeyHKRXOUVXIXVWQR-UHFFFAOYSA-N
MW243.30 g/mol
LogP3.03
Rot. Bonds6

About 1-(4,5-difluoro-2-propoxyphenyl)butan-2-amine

1-(4,5-difluoro-2-propoxyphenyl)butan-2-amine (PubChem CID 170890380) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-(4,5-difluoro-2-propoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(4,5-difluoro-2-propoxyphenyl)butan-2-amine
PubChem CID170890380
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name1-(4,5-difluoro-2-propoxyphenyl)butan-2-amine
SMILESCCCOc1cc(F)c(F)cc1CC(N)CC
InChIInChI=1S/C13H19F2NO/c1-3-5-17-13-8-12(15)11(14)7-9(13)6-10(16)4-2/h7-8,10H,3-6,16H2,1-2H3
InChIKeyHKRXOUVXIXVWQR-UHFFFAOYSA-N
XLogP3.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890525
1-(3,5-difluoro-2-methyl-4-propoxyphenyl)butan-2-amine
CID 170890371
1-(2,5-difluoro-4-methoxyphenyl)butan-2-amine
CID 170890367
1-(5-fluoro-2-heptoxyphenyl)butan-2-amine
CID 107701259
1-[5-(ethoxymethyl)-2-propoxyphenyl]butan-2-amine
CID 170890476
1-[2-(cyclopropylmethoxy)-5-fluoro-4-methylphenyl]butan-2-amine
CID 170890285
1-(2-chloro-4-fluoro-6-propoxyphenyl)butan-2-amine
CID 170890119
1-[2-propoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]butan-2-amine
CID 170890591
1-[5-chloro-2-(3-methylbutoxy)phenyl]butan-2-amine
CID 63421655
1-(2-ethoxy-4,5-dimethylphenyl)butan-2-amine
CID 170890416
1-(5-fluoro-2-propoxyphenyl)propan-2-amine
CID 103694484
1-(2,5-diethoxy-4-methylsulfanylphenyl)butan-2-amine
CID 176553691

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-difluoro-2-propoxyphenyl)butan-2-amine?
The IUPAC name of 1-(4,5-difluoro-2-propoxyphenyl)butan-2-amine (CID 170890380) is 1-(4,5-difluoro-2-propoxyphenyl)butan-2-amine.
What is the SMILES notation for 1-(4,5-difluoro-2-propoxyphenyl)butan-2-amine?
The canonical SMILES for 1-(4,5-difluoro-2-propoxyphenyl)butan-2-amine is CCCOc1cc(F)c(F)cc1CC(N)CC.
What is the InChIKey of 1-(4,5-difluoro-2-propoxyphenyl)butan-2-amine?
The InChIKey is HKRXOUVXIXVWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-3-5-17-13-8-12(15)11(14)7-9(13)6-10(16)4-2/h7-8,10H,3-6,16H2,1-2H3.
What are the key properties of 1-(4,5-difluoro-2-propoxyphenyl)butan-2-amine?
1-(4,5-difluoro-2-propoxyphenyl)butan-2-amine has a molecular weight of 243.30 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-difluoro-2-propoxyphenyl)butan-2-amine is sourced from PubChem (CID 170890380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).