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

C17H19F2NO — CID 63817149

IUPAC1-[4-(2,4-difluorophenoxy)-3-methylphenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Oc2ccc(F)cc2F)c(C)c1
InChIInChI=1S/C17H19F2NO/c1-3-14(20)9-12-4-6-16(11(2)8-12)21-17-7-5-13(18)10-15(17)19/h4-8,10,14H,3,9,20H2,1-2H3
InChIKeyQYUNFTZZTOOPAP-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.35
Rot. Bonds5

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

1-[4-(2,4-difluorophenoxy)-3-methylphenyl]butan-2-amine (PubChem CID 63817149) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-[4-(2,4-difluorophenoxy)-3-methylphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(2,4-difluorophenoxy)-3-methylphenyl]butan-2-amine
PubChem CID63817149
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name1-[4-(2,4-difluorophenoxy)-3-methylphenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Oc2ccc(F)cc2F)c(C)c1
InChIInChI=1S/C17H19F2NO/c1-3-14(20)9-12-4-6-16(11(2)8-12)21-17-7-5-13(18)10-15(17)19/h4-8,10,14H,3,9,20H2,1-2H3
InChIKeyQYUNFTZZTOOPAP-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(2,4-difluorophenoxy)-3-methylphenyl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2-bromo-4-fluorophenoxy)-3-fluorophenyl]butan-2-amine
CID 63816803
1-[4-(5-bromo-2-fluorophenoxy)-3-methylphenyl]butan-2-amine
CID 114677110
1-[4-(2-methoxyphenoxy)-3-methylphenyl]butan-2-amine
CID 63803633
1-[4-(2-iodophenoxy)-3-methylphenyl]butan-2-amine
CID 63803492
1-[4-(2-chloro-4-methylphenoxy)-3-fluorophenyl]butan-2-amine
CID 63803843
1-(3-methyl-4-phenoxyphenyl)butan-2-amine
CID 63803795
1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine
CID 81160055
1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 107693284
1-[4-chloro-2-(2,4-difluorophenoxy)phenyl]butan-2-amine
CID 114862712
1-[4-methyl-3-(2-methylphenoxy)phenyl]butan-2-amine
CID 105411019
1-[4-(4-chloro-3-methylphenoxy)-3-fluorophenyl]butan-2-amine
CID 63815583
N-[[4-(2,4-difluorophenoxy)-3-methylphenyl]methyl]propan-2-amine
CID 63552724

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-difluorophenoxy)-3-methylphenyl]butan-2-amine?
The IUPAC name of 1-[4-(2,4-difluorophenoxy)-3-methylphenyl]butan-2-amine (CID 63817149) is 1-[4-(2,4-difluorophenoxy)-3-methylphenyl]butan-2-amine.
What is the SMILES notation for 1-[4-(2,4-difluorophenoxy)-3-methylphenyl]butan-2-amine?
The canonical SMILES for 1-[4-(2,4-difluorophenoxy)-3-methylphenyl]butan-2-amine is CCC(N)Cc1ccc(Oc2ccc(F)cc2F)c(C)c1.
What is the InChIKey of 1-[4-(2,4-difluorophenoxy)-3-methylphenyl]butan-2-amine?
The InChIKey is QYUNFTZZTOOPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-3-14(20)9-12-4-6-16(11(2)8-12)21-17-7-5-13(18)10-15(17)19/h4-8,10,14H,3,9,20H2,1-2H3.
What are the key properties of 1-[4-(2,4-difluorophenoxy)-3-methylphenyl]butan-2-amine?
1-[4-(2,4-difluorophenoxy)-3-methylphenyl]butan-2-amine has a molecular weight of 291.34 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-difluorophenoxy)-3-methylphenyl]butan-2-amine is sourced from PubChem (CID 63817149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).