N-[1-(2,4-difluorophenyl)-2-phenoxyethyl]propan-1-amine

C17H19F2NO — CID 62800553

IUPACN-[1-(2,4-difluorophenyl)-2-phenoxyethyl]propan-1-amine
SMILESCCCNC(COc1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C17H19F2NO/c1-2-10-20-17(12-21-14-6-4-3-5-7-14)15-9-8-13(18)11-16(15)19/h3-9,11,17,20H,2,10,12H2,1H3
InChIKeyMKIAEZOGZNIBHM-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.08
Rot. Bonds7

About N-[1-(2,4-difluorophenyl)-2-phenoxyethyl]propan-1-amine

N-[1-(2,4-difluorophenyl)-2-phenoxyethyl]propan-1-amine (PubChem CID 62800553) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)-2-phenoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)-2-phenoxyethyl]propan-1-amine
PubChem CID62800553
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC NameN-[1-(2,4-difluorophenyl)-2-phenoxyethyl]propan-1-amine
SMILESCCCNC(COc1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C17H19F2NO/c1-2-10-20-17(12-21-14-6-4-3-5-7-14)15-9-8-13(18)11-16(15)19/h3-9,11,17,20H,2,10,12H2,1H3
InChIKeyMKIAEZOGZNIBHM-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine
CID 63416221
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenoxyethanamine
CID 105394867
1-(2,4-difluorophenyl)-N-propylethane-1,2-diamine
CID 62064444
N-[1-(2,4-difluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 43496285
1-(2,4-difluorophenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105143692
N-[1-(2,4-difluorophenyl)-2-methylsulfanylethyl]propan-1-amine
CID 62800720
1-(2,4-difluorophenyl)-3-methyl-N-propylbutan-1-amine
CID 43496303
N-[1-(3-chlorophenyl)-2-phenoxyethyl]propan-1-amine
CID 63416306
N-[1-(4-chlorophenyl)-2-phenoxyethyl]propan-1-amine
CID 63416707
N-[1-(3,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine
CID 63416441
methyl 3-(2,4-difluorophenyl)-3-(propylamino)propanoate
CID 65235593
N-[bis(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496293

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)-2-phenoxyethyl]propan-1-amine?
The IUPAC name of N-[1-(2,4-difluorophenyl)-2-phenoxyethyl]propan-1-amine (CID 62800553) is N-[1-(2,4-difluorophenyl)-2-phenoxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)-2-phenoxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,4-difluorophenyl)-2-phenoxyethyl]propan-1-amine is CCCNC(COc1ccccc1)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)-2-phenoxyethyl]propan-1-amine?
The InChIKey is MKIAEZOGZNIBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-2-10-20-17(12-21-14-6-4-3-5-7-14)15-9-8-13(18)11-16(15)19/h3-9,11,17,20H,2,10,12H2,1H3.
What are the key properties of N-[1-(2,4-difluorophenyl)-2-phenoxyethyl]propan-1-amine?
N-[1-(2,4-difluorophenyl)-2-phenoxyethyl]propan-1-amine has a molecular weight of 291.34 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)-2-phenoxyethyl]propan-1-amine is sourced from PubChem (CID 62800553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).