2-(2,3-difluorophenyl)-N-propylhexan-3-amine

C15H23F2N — CID 114059600

IUPAC2-(2,3-difluorophenyl)-N-propylhexan-3-amine
SMILESCCCNC(CCC)C(C)c1cccc(F)c1F
InChIInChI=1S/C15H23F2N/c1-4-7-14(18-10-5-2)11(3)12-8-6-9-13(16)15(12)17/h6,8-9,11,14,18H,4-5,7,10H2,1-3H3
InChIKeyNRCAOGQKXMOFMK-UHFFFAOYSA-N
MW255.35 g/mol
LogP4.24
Rot. Bonds7

About 2-(2,3-difluorophenyl)-N-propylhexan-3-amine

2-(2,3-difluorophenyl)-N-propylhexan-3-amine (PubChem CID 114059600) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-N-propylhexan-3-amine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-N-propylhexan-3-amine
PubChem CID114059600
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC Name2-(2,3-difluorophenyl)-N-propylhexan-3-amine
SMILESCCCNC(CCC)C(C)c1cccc(F)c1F
InChIInChI=1S/C15H23F2N/c1-4-7-14(18-10-5-2)11(3)12-8-6-9-13(16)15(12)17/h6,8-9,11,14,18H,4-5,7,10H2,1-3H3
InChIKeyNRCAOGQKXMOFMK-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
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-ethyl-2-(2-fluorophenyl)hexan-3-amine
CID 83051211
2-(2-fluorophenyl)-N-propylpentan-3-amine
CID 79308291
3-(2,3-difluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 81015491
1-(2,3-difluorophenyl)-2-ethyl-N-propylbutan-1-amine
CID 115862073
2-(2-ethoxyphenyl)-N-propylhexan-3-amine
CID 83050810
N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]propan-1-amine
CID 66205176
1-(2,3-difluorophenyl)-N-propylnonan-1-amine
CID 115835811
1-(2,3-difluorophenyl)-N-propylpropan-2-amine
CID 62601742
2-(2,3-difluorophenyl)-2-(propylamino)acetamide
CID 63668774
2-(2,5-dichlorophenyl)-N-propylhexan-3-amine
CID 83051537
2-(2,3-difluorophenoxy)-N-propylpentan-3-amine
CID 63038153

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-N-propylhexan-3-amine?
The IUPAC name of 2-(2,3-difluorophenyl)-N-propylhexan-3-amine (CID 114059600) is 2-(2,3-difluorophenyl)-N-propylhexan-3-amine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-N-propylhexan-3-amine?
The canonical SMILES for 2-(2,3-difluorophenyl)-N-propylhexan-3-amine is CCCNC(CCC)C(C)c1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-N-propylhexan-3-amine?
The InChIKey is NRCAOGQKXMOFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-4-7-14(18-10-5-2)11(3)12-8-6-9-13(16)15(12)17/h6,8-9,11,14,18H,4-5,7,10H2,1-3H3.
What are the key properties of 2-(2,3-difluorophenyl)-N-propylhexan-3-amine?
2-(2,3-difluorophenyl)-N-propylhexan-3-amine has a molecular weight of 255.35 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-N-propylhexan-3-amine is sourced from PubChem (CID 114059600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).