3-[(2,3-difluorophenyl)methyl]-N-propylpentan-2-amine

C15H23F2N — CID 54896930

IUPAC3-[(2,3-difluorophenyl)methyl]-N-propylpentan-2-amine
SMILESCCCNC(C)C(CC)Cc1cccc(F)c1F
InChIInChI=1S/C15H23F2N/c1-4-9-18-11(3)12(5-2)10-13-7-6-8-14(16)15(13)17/h6-8,11-12,18H,4-5,9-10H2,1-3H3
InChIKeyFCKQOZDUDPRWTL-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.92
Rot. Bonds7

About 3-[(2,3-difluorophenyl)methyl]-N-propylpentan-2-amine

3-[(2,3-difluorophenyl)methyl]-N-propylpentan-2-amine (PubChem CID 54896930) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is 3-[(2,3-difluorophenyl)methyl]-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-[(2,3-difluorophenyl)methyl]-N-propylpentan-2-amine
PubChem CID54896930
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC Name3-[(2,3-difluorophenyl)methyl]-N-propylpentan-2-amine
SMILESCCCNC(C)C(CC)Cc1cccc(F)c1F
InChIInChI=1S/C15H23F2N/c1-4-9-18-11(3)12(5-2)10-13-7-6-8-14(16)15(13)17/h6-8,11-12,18H,4-5,9-10H2,1-3H3
InChIKeyFCKQOZDUDPRWTL-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-difluorophenyl)-N-propylpropan-2-amine
CID 62601742
5-(2,3-difluorophenyl)-4-methyl-N-propylpentan-2-amine
CID 64718771
3-[(2-bromo-5-fluorophenyl)methyl]-N-propylpentan-2-amine
CID 63400302
3-[(2-chlorophenyl)methyl]-N-propylpentan-2-amine
CID 54897030
1-(2,3-difluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116716158
3-(2,3-difluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 62528277
1-(2,3-difluorophenyl)-3-phenyl-N-propylpropan-2-amine
CID 62601665
1-(2,3-difluorophenyl)-2-ethyl-N-propylbutan-1-amine
CID 115862073
3-[(4-fluorophenyl)methyl]-N-propylpentan-2-amine
CID 54896932
1-(2,3-difluorophenyl)-5-methoxy-3-methyl-N-propylpentan-2-amine
CID 105044273
3-[(2,5-dichlorophenyl)methyl]-N-propylpentan-2-amine
CID 65316933
N-[1-(4-bromophenyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 63412021

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-difluorophenyl)methyl]-N-propylpentan-2-amine?
The IUPAC name of 3-[(2,3-difluorophenyl)methyl]-N-propylpentan-2-amine (CID 54896930) is 3-[(2,3-difluorophenyl)methyl]-N-propylpentan-2-amine.
What is the SMILES notation for 3-[(2,3-difluorophenyl)methyl]-N-propylpentan-2-amine?
The canonical SMILES for 3-[(2,3-difluorophenyl)methyl]-N-propylpentan-2-amine is CCCNC(C)C(CC)Cc1cccc(F)c1F.
What is the InChIKey of 3-[(2,3-difluorophenyl)methyl]-N-propylpentan-2-amine?
The InChIKey is FCKQOZDUDPRWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-4-9-18-11(3)12(5-2)10-13-7-6-8-14(16)15(13)17/h6-8,11-12,18H,4-5,9-10H2,1-3H3.
What are the key properties of 3-[(2,3-difluorophenyl)methyl]-N-propylpentan-2-amine?
3-[(2,3-difluorophenyl)methyl]-N-propylpentan-2-amine has a molecular weight of 255.35 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-difluorophenyl)methyl]-N-propylpentan-2-amine is sourced from PubChem (CID 54896930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).