1-(2,3-difluorophenyl)-N-propylnonan-1-amine

C18H29F2N — CID 115835811

IUPAC1-(2,3-difluorophenyl)-N-propylnonan-1-amine
SMILESCCCCCCCCC(NCCC)c1cccc(F)c1F
InChIInChI=1S/C18H29F2N/c1-3-5-6-7-8-9-13-17(21-14-4-2)15-11-10-12-16(19)18(15)20/h10-12,17,21H,3-9,13-14H2,1-2H3
InChIKeyRTEVTBLLDGWHNO-UHFFFAOYSA-N
MW297.43 g/mol
LogP5.76
Rot. Bonds11

About 1-(2,3-difluorophenyl)-N-propylnonan-1-amine

1-(2,3-difluorophenyl)-N-propylnonan-1-amine (PubChem CID 115835811) has the molecular formula C18H29F2N and a molecular weight of 297.43 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-propylnonan-1-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-propylnonan-1-amine
PubChem CID115835811
Molecular FormulaC18H29F2N
Molecular Weight297.43 g/mol
Exact Mass297.23
IUPAC Name1-(2,3-difluorophenyl)-N-propylnonan-1-amine
SMILESCCCCCCCCC(NCCC)c1cccc(F)c1F
InChIInChI=1S/C18H29F2N/c1-3-5-6-7-8-9-13-17(21-14-4-2)15-11-10-12-16(19)18(15)20/h10-12,17,21H,3-9,13-14H2,1-2H3
InChIKeyRTEVTBLLDGWHNO-UHFFFAOYSA-N
XLogP5.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.43
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluoro-3-methylphenyl)-N-propyloctan-1-amine
CID 115832334
1-(2,3-difluorophenyl)hexylhydrazine
CID 105294688
N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 79411869
1-(3-chloro-2-fluorophenyl)-N-propylpentan-1-amine
CID 64714891
1-(3-bromo-2-fluorophenyl)-N-propylpentan-1-amine
CID 106645856
N-propyl-1-(2,4,5-trifluorophenyl)octan-1-amine
CID 103303022
1-(2,3-difluorophenyl)pentylhydrazine
CID 105245668
1-(2,3-dichlorophenyl)-N-propylnonan-1-amine
CID 115835415
N-[bis(2,3-difluorophenyl)methyl]propan-1-amine
CID 115862083
1-(2-iodophenyl)-N-propylheptan-1-amine
CID 115833162
3-(2,3-difluorophenyl)-3-(propylamino)propanoic acid
CID 65234358
1-(1-bromoheptyl)-2,3-difluorobenzene
CID 10989939

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-propylnonan-1-amine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-propylnonan-1-amine (CID 115835811) is 1-(2,3-difluorophenyl)-N-propylnonan-1-amine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-propylnonan-1-amine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-propylnonan-1-amine is CCCCCCCCC(NCCC)c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-propylnonan-1-amine?
The InChIKey is RTEVTBLLDGWHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29F2N/c1-3-5-6-7-8-9-13-17(21-14-4-2)15-11-10-12-16(19)18(15)20/h10-12,17,21H,3-9,13-14H2,1-2H3.
What are the key properties of 1-(2,3-difluorophenyl)-N-propylnonan-1-amine?
1-(2,3-difluorophenyl)-N-propylnonan-1-amine has a molecular weight of 297.43 g/mol, XLogP of 5.76, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-propylnonan-1-amine is sourced from PubChem (CID 115835811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).