1-(3,4-difluorophenyl)-2-methyl-N-propylpentan-3-amine

C15H23F2N — CID 82919675

IUPAC1-(3,4-difluorophenyl)-2-methyl-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C15H23F2N/c1-4-8-18-15(5-2)11(3)9-12-6-7-13(16)14(17)10-12/h6-7,10-11,15,18H,4-5,8-9H2,1-3H3
InChIKeyCVJPENBGGJIDJY-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.92
Rot. Bonds7

About 1-(3,4-difluorophenyl)-2-methyl-N-propylpentan-3-amine

1-(3,4-difluorophenyl)-2-methyl-N-propylpentan-3-amine (PubChem CID 82919675) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-methyl-N-propylpentan-3-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-methyl-N-propylpentan-3-amine
PubChem CID82919675
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC Name1-(3,4-difluorophenyl)-2-methyl-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C15H23F2N/c1-4-8-18-15(5-2)11(3)9-12-6-7-13(16)14(17)10-12/h6-7,10-11,15,18H,4-5,8-9H2,1-3H3
InChIKeyCVJPENBGGJIDJY-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-(3,4-difluorophenyl)-4-methyl-N-propylhexan-2-amine
CID 114875109
1-(4-iodophenyl)-2-methyl-N-propylpentan-3-amine
CID 65476823
2-methyl-1-phenyl-N-propylpentan-3-amine
CID 63561010
1-(3,4-difluorophenyl)-4-ethyl-N-propylhexan-2-amine
CID 105028359
1-(3,4-difluorophenyl)-N-propylbut-3-en-2-amine
CID 105000995
1-(3,4-difluorophenyl)-N-propylbut-3-yn-2-amine
CID 104995812
1-(3,4-difluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105013377
[1-(3,4-difluorophenyl)-3-methylpentan-2-yl]hydrazine
CID 105219724
1-(3-chloro-4-fluorophenyl)-3-methyl-N-propylbutan-2-amine
CID 103039834
1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxy-N-propylpropan-2-amine
CID 116722711
1-(3,4-difluorophenyl)-3-ethoxy-N-propylpropan-2-amine
CID 82922348
1-(3,4-difluorophenyl)-N-ethylpropan-2-amine
CID 24936146

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-methyl-N-propylpentan-3-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-2-methyl-N-propylpentan-3-amine (CID 82919675) is 1-(3,4-difluorophenyl)-2-methyl-N-propylpentan-3-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-methyl-N-propylpentan-3-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-methyl-N-propylpentan-3-amine is CCCNC(CC)C(C)Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-methyl-N-propylpentan-3-amine?
The InChIKey is CVJPENBGGJIDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-4-8-18-15(5-2)11(3)9-12-6-7-13(16)14(17)10-12/h6-7,10-11,15,18H,4-5,8-9H2,1-3H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-methyl-N-propylpentan-3-amine?
1-(3,4-difluorophenyl)-2-methyl-N-propylpentan-3-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 1-(3,4-difluorophenyl)-2-methyl-N-propylpentan-3-amine is sourced from PubChem (CID 82919675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).