1-(2,4-difluorophenyl)-N-methylundecan-2-amine

C18H29F2N — CID 64560625

IUPAC1-(2,4-difluorophenyl)-N-methylundecan-2-amine
SMILESCCCCCCCCCC(Cc1ccc(F)cc1F)NC
InChIInChI=1S/C18H29F2N/c1-3-4-5-6-7-8-9-10-17(21-2)13-15-11-12-16(19)14-18(15)20/h11-12,14,17,21H,3-10,13H2,1-2H3
InChIKeyJBQKJGOOMJAZCL-UHFFFAOYSA-N
MW297.43 g/mol
LogP5.24
Rot. Bonds11

About 1-(2,4-difluorophenyl)-N-methylundecan-2-amine

1-(2,4-difluorophenyl)-N-methylundecan-2-amine (PubChem CID 64560625) has the molecular formula C18H29F2N and a molecular weight of 297.43 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-methylundecan-2-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-methylundecan-2-amine
PubChem CID64560625
Molecular FormulaC18H29F2N
Molecular Weight297.43 g/mol
Exact Mass297.23
IUPAC Name1-(2,4-difluorophenyl)-N-methylundecan-2-amine
SMILESCCCCCCCCCC(Cc1ccc(F)cc1F)NC
InChIInChI=1S/C18H29F2N/c1-3-4-5-6-7-8-9-10-17(21-2)13-15-11-12-16(19)14-18(15)20/h11-12,14,17,21H,3-10,13H2,1-2H3
InChIKeyJBQKJGOOMJAZCL-UHFFFAOYSA-N
XLogP5.24
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 ≤ 55.24
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-(2,5-difluorophenyl)-N-methylundecan-2-amine
CID 115810021
1-(4-bromo-2-fluorophenyl)-N-methyldecan-2-amine
CID 115844394
1-(4-bromo-2-fluorophenyl)-N-methylnonan-2-amine
CID 115844762
1-(5-fluoro-2-methylphenyl)-N-methyldecan-2-amine
CID 105377260
1-(2,4-difluorophenyl)hexan-2-ylhydrazine
CID 105223048
1-(2,4-difluorophenyl)decan-2-ol
CID 64559073
1-(2,4-difluorophenyl)nonan-2-ol
CID 63902016
1-(2,4-difluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 105117577
1-(3-fluorophenyl)-N-methylundecan-2-amine
CID 63417215
1-butan-2-ylsulfanyl-3-(2,4-difluorophenyl)-N-methylpropan-2-amine
CID 65135965
1-(2,4-difluorophenyl)-N-methyl-4-phenylbutan-2-amine
CID 62196246
1-(4-chloro-2-fluorophenyl)-N-ethylnonan-2-amine
CID 105055551

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-methylundecan-2-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-methylundecan-2-amine (CID 64560625) is 1-(2,4-difluorophenyl)-N-methylundecan-2-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-methylundecan-2-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-methylundecan-2-amine is CCCCCCCCCC(Cc1ccc(F)cc1F)NC.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-methylundecan-2-amine?
The InChIKey is JBQKJGOOMJAZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29F2N/c1-3-4-5-6-7-8-9-10-17(21-2)13-15-11-12-16(19)14-18(15)20/h11-12,14,17,21H,3-10,13H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-methylundecan-2-amine?
1-(2,4-difluorophenyl)-N-methylundecan-2-amine has a molecular weight of 297.43 g/mol, XLogP of 5.24, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-methylundecan-2-amine is sourced from PubChem (CID 64560625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).