5-(2,3-difluorophenyl)-4-methyl-N-propylpentan-2-amine

C15H23F2N — CID 64718771

IUPAC5-(2,3-difluorophenyl)-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)Cc1cccc(F)c1F
InChIInChI=1S/C15H23F2N/c1-4-8-18-12(3)9-11(2)10-13-6-5-7-14(16)15(13)17/h5-7,11-12,18H,4,8-10H2,1-3H3
InChIKeyVWQHVQZFRWLBLY-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.92
Rot. Bonds7

About 5-(2,3-difluorophenyl)-4-methyl-N-propylpentan-2-amine

5-(2,3-difluorophenyl)-4-methyl-N-propylpentan-2-amine (PubChem CID 64718771) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is 5-(2,3-difluorophenyl)-4-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name5-(2,3-difluorophenyl)-4-methyl-N-propylpentan-2-amine
PubChem CID64718771
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC Name5-(2,3-difluorophenyl)-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)Cc1cccc(F)c1F
InChIInChI=1S/C15H23F2N/c1-4-8-18-12(3)9-11(2)10-13-6-5-7-14(16)15(13)17/h5-7,11-12,18H,4,8-10H2,1-3H3
InChIKeyVWQHVQZFRWLBLY-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-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-2-amine
CID 104795127
3-(2,3-difluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 62528277
3-[(2,3-difluorophenyl)methyl]-N-propylpentan-2-amine
CID 54896930
1-(2,3-difluorophenyl)-3-phenyl-N-propylpropan-2-amine
CID 62601665
1-(2,3-difluorophenyl)-5-methoxy-3-methyl-N-propylpentan-2-amine
CID 105044273
1-(2,3-difluorophenyl)-3-propoxy-N-propylpropan-2-amine
CID 55094101
1-(2,3-difluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116716158
N-[1-(4-bromophenyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 63412021
N-[bis(2,3-difluorophenyl)methyl]propan-1-amine
CID 115862083
1-(2,3-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 116718406
N-[2-(2,3-difluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 55095017

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluorophenyl)-4-methyl-N-propylpentan-2-amine?
The IUPAC name of 5-(2,3-difluorophenyl)-4-methyl-N-propylpentan-2-amine (CID 64718771) is 5-(2,3-difluorophenyl)-4-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 5-(2,3-difluorophenyl)-4-methyl-N-propylpentan-2-amine?
The canonical SMILES for 5-(2,3-difluorophenyl)-4-methyl-N-propylpentan-2-amine is CCCNC(C)CC(C)Cc1cccc(F)c1F.
What is the InChIKey of 5-(2,3-difluorophenyl)-4-methyl-N-propylpentan-2-amine?
The InChIKey is VWQHVQZFRWLBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-4-8-18-12(3)9-11(2)10-13-6-5-7-14(16)15(13)17/h5-7,11-12,18H,4,8-10H2,1-3H3.
What are the key properties of 5-(2,3-difluorophenyl)-4-methyl-N-propylpentan-2-amine?
5-(2,3-difluorophenyl)-4-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 5-(2,3-difluorophenyl)-4-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 64718771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).