1-(2,3-difluorophenoxy)-1-(4-methylphenyl)butan-2-amine

C17H19F2NO — CID 63036389

IUPAC1-(2,3-difluorophenoxy)-1-(4-methylphenyl)butan-2-amine
SMILESCCC(N)C(Oc1cccc(F)c1F)c1ccc(C)cc1
InChIInChI=1S/C17H19F2NO/c1-3-14(20)17(12-9-7-11(2)8-10-12)21-15-6-4-5-13(18)16(15)19/h4-10,14,17H,3,20H2,1-2H3
InChIKeyYJVYHQMZHALSJE-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.13
Rot. Bonds5

About 1-(2,3-difluorophenoxy)-1-(4-methylphenyl)butan-2-amine

1-(2,3-difluorophenoxy)-1-(4-methylphenyl)butan-2-amine (PubChem CID 63036389) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-(2,3-difluorophenoxy)-1-(4-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenoxy)-1-(4-methylphenyl)butan-2-amine
PubChem CID63036389
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name1-(2,3-difluorophenoxy)-1-(4-methylphenyl)butan-2-amine
SMILESCCC(N)C(Oc1cccc(F)c1F)c1ccc(C)cc1
InChIInChI=1S/C17H19F2NO/c1-3-14(20)17(12-9-7-11(2)8-10-12)21-15-6-4-5-13(18)16(15)19/h4-10,14,17H,3,20H2,1-2H3
InChIKeyYJVYHQMZHALSJE-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-5-methylphenoxy)-1-(4-methylphenyl)butan-2-amine
CID 64855572
1-(3-bromophenyl)-1-(2,3-difluorophenoxy)butan-2-amine
CID 63038140
1-(2,3-difluorophenoxy)-1-(4-fluorophenyl)propan-2-amine
CID 63037095
4-(2,3-difluorophenoxy)-5,5-dimethylhexan-3-amine
CID 55143417
1-(2-fluoro-3-methylphenoxy)-1-thiophen-3-ylbutan-2-amine
CID 107656259
1-(2-fluorophenoxy)-1-(4-methylphenyl)propan-2-amine
CID 55016476
1-(3-bromophenyl)-1-(2-fluoro-5-methylphenoxy)butan-2-amine
CID 64856145
1-(2-chloro-4-methylphenoxy)-1-(4-chlorophenyl)butan-2-amine
CID 63459961
1-(5-fluoro-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 102980547
1-(4-fluorophenyl)-1-phenoxybutan-2-amine
CID 55015456
1-(2-fluoro-5-methylphenoxy)-1-(2-fluorophenyl)butan-2-amine
CID 64853420
1-(2-chloro-4-methylphenoxy)-1-(3-fluorophenyl)butan-2-amine
CID 62669549

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenoxy)-1-(4-methylphenyl)butan-2-amine?
The IUPAC name of 1-(2,3-difluorophenoxy)-1-(4-methylphenyl)butan-2-amine (CID 63036389) is 1-(2,3-difluorophenoxy)-1-(4-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-(2,3-difluorophenoxy)-1-(4-methylphenyl)butan-2-amine?
The canonical SMILES for 1-(2,3-difluorophenoxy)-1-(4-methylphenyl)butan-2-amine is CCC(N)C(Oc1cccc(F)c1F)c1ccc(C)cc1.
What is the InChIKey of 1-(2,3-difluorophenoxy)-1-(4-methylphenyl)butan-2-amine?
The InChIKey is YJVYHQMZHALSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-3-14(20)17(12-9-7-11(2)8-10-12)21-15-6-4-5-13(18)16(15)19/h4-10,14,17H,3,20H2,1-2H3.
What are the key properties of 1-(2,3-difluorophenoxy)-1-(4-methylphenyl)butan-2-amine?
1-(2,3-difluorophenoxy)-1-(4-methylphenyl)butan-2-amine has a molecular weight of 291.34 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenoxy)-1-(4-methylphenyl)butan-2-amine is sourced from PubChem (CID 63036389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).