N-[[4-(2,4-difluorophenoxy)-3-methylphenyl]methyl]propan-2-amine

C17H19F2NO — CID 63552724

IUPACN-[[4-(2,4-difluorophenoxy)-3-methylphenyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)ccc1Oc1ccc(F)cc1F
InChIInChI=1S/C17H19F2NO/c1-11(2)20-10-13-4-6-16(12(3)8-13)21-17-7-5-14(18)9-15(17)19/h4-9,11,20H,10H2,1-3H3
InChIKeyCDMCLCFDUDYXTN-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.56
Rot. Bonds5

About N-[[4-(2,4-difluorophenoxy)-3-methylphenyl]methyl]propan-2-amine

N-[[4-(2,4-difluorophenoxy)-3-methylphenyl]methyl]propan-2-amine (PubChem CID 63552724) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is N-[[4-(2,4-difluorophenoxy)-3-methylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(2,4-difluorophenoxy)-3-methylphenyl]methyl]propan-2-amine
PubChem CID63552724
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC NameN-[[4-(2,4-difluorophenoxy)-3-methylphenyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)ccc1Oc1ccc(F)cc1F
InChIInChI=1S/C17H19F2NO/c1-11(2)20-10-13-4-6-16(12(3)8-13)21-17-7-5-14(18)9-15(17)19/h4-9,11,20H,10H2,1-3H3
InChIKeyCDMCLCFDUDYXTN-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 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 ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(4-chloro-2-methylphenoxy)-3-methylphenyl]methyl]propan-2-amine
CID 63552751
N-[[3-(2-bromo-4-fluorophenoxy)-4-methylphenyl]methyl]propan-2-amine
CID 105406547
N-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43283333
N-[[4-(3-bromo-4-fluorophenoxy)-3-methylphenyl]methyl]propan-2-amine
CID 83233350
N-[[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methyl]propan-2-amine
CID 43314137
N-[[4-(2-chloro-5-methylphenoxy)-3-fluorophenyl]methyl]propan-2-amine
CID 43283818
N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81253500
N-[[3-(2,4-dimethylphenoxy)-4-methylphenyl]methyl]propan-2-amine
CID 105406580
N-[(3-fluoro-4-phenoxyphenyl)methyl]propan-2-amine
CID 43283192
1-[4-(2,4-difluorophenoxy)-3-methylphenyl]butan-2-amine
CID 63817149
N-[[3-(5-fluoro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408904
N-[[4-(4-bromo-3-fluorophenoxy)-3-fluorophenyl]methyl]propan-2-amine
CID 65200944

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,4-difluorophenoxy)-3-methylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(2,4-difluorophenoxy)-3-methylphenyl]methyl]propan-2-amine (CID 63552724) is N-[[4-(2,4-difluorophenoxy)-3-methylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(2,4-difluorophenoxy)-3-methylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(2,4-difluorophenoxy)-3-methylphenyl]methyl]propan-2-amine is Cc1cc(CNC(C)C)ccc1Oc1ccc(F)cc1F.
What is the InChIKey of N-[[4-(2,4-difluorophenoxy)-3-methylphenyl]methyl]propan-2-amine?
The InChIKey is CDMCLCFDUDYXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-11(2)20-10-13-4-6-16(12(3)8-13)21-17-7-5-14(18)9-15(17)19/h4-9,11,20H,10H2,1-3H3.
What are the key properties of N-[[4-(2,4-difluorophenoxy)-3-methylphenyl]methyl]propan-2-amine?
N-[[4-(2,4-difluorophenoxy)-3-methylphenyl]methyl]propan-2-amine has a molecular weight of 291.34 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,4-difluorophenoxy)-3-methylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 63552724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).