1-(3,4-difluorophenyl)-3-ethoxy-N-propylpropan-2-amine

C14H21F2NO — CID 82922348

IUPAC1-(3,4-difluorophenyl)-3-ethoxy-N-propylpropan-2-amine
SMILESCCCNC(COCC)Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H21F2NO/c1-3-7-17-12(10-18-4-2)8-11-5-6-13(15)14(16)9-11/h5-6,9,12,17H,3-4,7-8,10H2,1-2H3
InChIKeyRFXLLYKIPFEEDA-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.91
Rot. Bonds8

About 1-(3,4-difluorophenyl)-3-ethoxy-N-propylpropan-2-amine

1-(3,4-difluorophenyl)-3-ethoxy-N-propylpropan-2-amine (PubChem CID 82922348) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-ethoxy-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-ethoxy-N-propylpropan-2-amine
PubChem CID82922348
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name1-(3,4-difluorophenyl)-3-ethoxy-N-propylpropan-2-amine
SMILESCCCNC(COCC)Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H21F2NO/c1-3-7-17-12(10-18-4-2)8-11-5-6-13(15)14(16)9-11/h5-6,9,12,17H,3-4,7-8,10H2,1-2H3
InChIKeyRFXLLYKIPFEEDA-UHFFFAOYSA-N
XLogP2.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-difluorophenyl)-3-ethoxy-N-propylpropan-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-(3,4-difluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105013377
1-(3,4-difluorophenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105176044
1-(3,4-difluorophenyl)-4-ethyl-N-propylhexan-2-amine
CID 105028359
1-(3,4-difluorophenyl)-4-methyl-N-propylhexan-2-amine
CID 114875109
1-(3,4-difluorophenyl)-N-propyl-3-propylsulfanylpropan-2-amine
CID 82922146
4-(3,4-difluorophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 82922479
1-(3-chloro-4-fluorophenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103216598
1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine
CID 103556973
1-(3,4-difluorophenyl)-2-methyl-N-propylpentan-3-amine
CID 82919675
1-(3,4-difluorophenyl)-3-(oxan-4-yl)-N-propylpropan-2-amine
CID 115846981
1-(3,4-difluorophenyl)-N-propylnon-8-en-2-amine
CID 107012123
1-(3-fluoro-4-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine
CID 105122233

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-ethoxy-N-propylpropan-2-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-3-ethoxy-N-propylpropan-2-amine (CID 82922348) is 1-(3,4-difluorophenyl)-3-ethoxy-N-propylpropan-2-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-ethoxy-N-propylpropan-2-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-ethoxy-N-propylpropan-2-amine is CCCNC(COCC)Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-ethoxy-N-propylpropan-2-amine?
The InChIKey is RFXLLYKIPFEEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-3-7-17-12(10-18-4-2)8-11-5-6-13(15)14(16)9-11/h5-6,9,12,17H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-3-ethoxy-N-propylpropan-2-amine?
1-(3,4-difluorophenyl)-3-ethoxy-N-propylpropan-2-amine has a molecular weight of 257.32 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-ethoxy-N-propylpropan-2-amine is sourced from PubChem (CID 82922348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).