1-(2,3-difluorophenyl)-2-ethyl-N-propylbutan-1-amine

C15H23F2N — CID 115862073

IUPAC1-(2,3-difluorophenyl)-2-ethyl-N-propylbutan-1-amine
SMILESCCCNC(c1cccc(F)c1F)C(CC)CC
InChIInChI=1S/C15H23F2N/c1-4-10-18-15(11(5-2)6-3)12-8-7-9-13(16)14(12)17/h7-9,11,15,18H,4-6,10H2,1-3H3
InChIKeyYBINHMJEBPAMFH-UHFFFAOYSA-N
MW255.35 g/mol
LogP4.44
Rot. Bonds7

About 1-(2,3-difluorophenyl)-2-ethyl-N-propylbutan-1-amine

1-(2,3-difluorophenyl)-2-ethyl-N-propylbutan-1-amine (PubChem CID 115862073) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-2-ethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-2-ethyl-N-propylbutan-1-amine
PubChem CID115862073
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC Name1-(2,3-difluorophenyl)-2-ethyl-N-propylbutan-1-amine
SMILESCCCNC(c1cccc(F)c1F)C(CC)CC
InChIInChI=1S/C15H23F2N/c1-4-10-18-15(11(5-2)6-3)12-8-7-9-13(16)14(12)17/h7-9,11,15,18H,4-6,10H2,1-3H3
InChIKeyYBINHMJEBPAMFH-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[bis(2,3-difluorophenyl)methyl]propan-1-amine
CID 115862083
N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]propan-1-amine
CID 66205176
2-(2,3-difluorophenyl)-N-propylhexan-3-amine
CID 114059600
3-[(2,3-difluorophenyl)methyl]-N-propylpentan-2-amine
CID 54896930
2-(2,3-difluorophenyl)-2-(propylamino)acetamide
CID 63668774
N-[(2,3-difluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 63502673
N,2-diethyl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 115855168
1-(2-chloro-4,5-difluorophenyl)-2-ethyl-N-propylbutan-1-amine
CID 107476596
1-(2,3-difluorophenyl)-N-propylnonan-1-amine
CID 115835811
N-[(2,3-difluorophenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 63988399
3-(2,3-difluorophenyl)-3-(propylamino)propanoic acid
CID 65234358
N-[(2-bromo-6-fluorophenyl)-(2,3-difluorophenyl)methyl]propan-1-amine
CID 114887381

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-2-ethyl-N-propylbutan-1-amine?
The IUPAC name of 1-(2,3-difluorophenyl)-2-ethyl-N-propylbutan-1-amine (CID 115862073) is 1-(2,3-difluorophenyl)-2-ethyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-2-ethyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(2,3-difluorophenyl)-2-ethyl-N-propylbutan-1-amine is CCCNC(c1cccc(F)c1F)C(CC)CC.
What is the InChIKey of 1-(2,3-difluorophenyl)-2-ethyl-N-propylbutan-1-amine?
The InChIKey is YBINHMJEBPAMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-4-10-18-15(11(5-2)6-3)12-8-7-9-13(16)14(12)17/h7-9,11,15,18H,4-6,10H2,1-3H3.
What are the key properties of 1-(2,3-difluorophenyl)-2-ethyl-N-propylbutan-1-amine?
1-(2,3-difluorophenyl)-2-ethyl-N-propylbutan-1-amine has a molecular weight of 255.35 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-2-ethyl-N-propylbutan-1-amine is sourced from PubChem (CID 115862073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).