4-[1-[1-(3,4-difluorophenyl)ethylamino]propyl]phenol

C17H19F2NO — CID 43680964

IUPAC4-[1-[1-(3,4-difluorophenyl)ethylamino]propyl]phenol
SMILESCCC(NC(C)c1ccc(F)c(F)c1)c1ccc(O)cc1
InChIInChI=1S/C17H19F2NO/c1-3-17(12-4-7-14(21)8-5-12)20-11(2)13-6-9-15(18)16(19)10-13/h4-11,17,20-21H,3H2,1-2H3
InChIKeyRHQPXRPDBDCSBS-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.47
Rot. Bonds5

About 4-[1-[1-(3,4-difluorophenyl)ethylamino]propyl]phenol

4-[1-[1-(3,4-difluorophenyl)ethylamino]propyl]phenol (PubChem CID 43680964) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 4-[1-[1-(3,4-difluorophenyl)ethylamino]propyl]phenol.

Molecular Properties

Compound Name4-[1-[1-(3,4-difluorophenyl)ethylamino]propyl]phenol
PubChem CID43680964
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name4-[1-[1-(3,4-difluorophenyl)ethylamino]propyl]phenol
SMILESCCC(NC(C)c1ccc(F)c(F)c1)c1ccc(O)cc1
InChIInChI=1S/C17H19F2NO/c1-3-17(12-4-7-14(21)8-5-12)20-11(2)13-6-9-15(18)16(19)10-13/h4-11,17,20-21H,3H2,1-2H3
InChIKeyRHQPXRPDBDCSBS-UHFFFAOYSA-N
XLogP4.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[1-(3,4-difluorophenyl)ethylamino]ethyl]phenol
CID 43680984
4-[1-[1-(3-fluorophenyl)ethylamino]propyl]phenol
CID 43205938
4-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 81349500
4-[1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propyl]phenol
CID 81381060
4-[1-(1-thiophen-3-ylethylamino)propyl]phenol
CID 62840966
4-[1-[1-(4-methoxyphenyl)propylamino]ethyl]phenol
CID 43720375
1-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 43096584
1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81352929
3-[1-(3,4-difluorophenyl)ethylamino]butan-1-ol
CID 79145040
N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutan-2-amine
CID 43131289
1-cyclopropyl-N-[1-(3,4-difluorophenyl)ethyl]propan-1-amine
CID 64919026
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylpropan-1-amine
CID 43724000

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(3,4-difluorophenyl)ethylamino]propyl]phenol?
The IUPAC name of 4-[1-[1-(3,4-difluorophenyl)ethylamino]propyl]phenol (CID 43680964) is 4-[1-[1-(3,4-difluorophenyl)ethylamino]propyl]phenol.
What is the SMILES notation for 4-[1-[1-(3,4-difluorophenyl)ethylamino]propyl]phenol?
The canonical SMILES for 4-[1-[1-(3,4-difluorophenyl)ethylamino]propyl]phenol is CCC(NC(C)c1ccc(F)c(F)c1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[1-(3,4-difluorophenyl)ethylamino]propyl]phenol?
The InChIKey is RHQPXRPDBDCSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-3-17(12-4-7-14(21)8-5-12)20-11(2)13-6-9-15(18)16(19)10-13/h4-11,17,20-21H,3H2,1-2H3.
What are the key properties of 4-[1-[1-(3,4-difluorophenyl)ethylamino]propyl]phenol?
4-[1-[1-(3,4-difluorophenyl)ethylamino]propyl]phenol has a molecular weight of 291.34 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(3,4-difluorophenyl)ethylamino]propyl]phenol is sourced from PubChem (CID 43680964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).