1-(2,5-difluorophenyl)-N-methylundecan-2-amine

C18H29F2N — CID 115810021

IUPAC1-(2,5-difluorophenyl)-N-methylundecan-2-amine
SMILESCCCCCCCCCC(Cc1cc(F)ccc1F)NC
InChIInChI=1S/C18H29F2N/c1-3-4-5-6-7-8-9-10-17(21-2)14-15-13-16(19)11-12-18(15)20/h11-13,17,21H,3-10,14H2,1-2H3
InChIKeyHSEITIOPPVBECZ-UHFFFAOYSA-N
MW297.43 g/mol
LogP5.24
Rot. Bonds11

About 1-(2,5-difluorophenyl)-N-methylundecan-2-amine

1-(2,5-difluorophenyl)-N-methylundecan-2-amine (PubChem CID 115810021) has the molecular formula C18H29F2N and a molecular weight of 297.43 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-methylundecan-2-amine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-methylundecan-2-amine
PubChem CID115810021
Molecular FormulaC18H29F2N
Molecular Weight297.43 g/mol
Exact Mass297.23
IUPAC Name1-(2,5-difluorophenyl)-N-methylundecan-2-amine
SMILESCCCCCCCCCC(Cc1cc(F)ccc1F)NC
InChIInChI=1S/C18H29F2N/c1-3-4-5-6-7-8-9-10-17(21-2)14-15-13-16(19)11-12-18(15)20/h11-13,17,21H,3-10,14H2,1-2H3
InChIKeyHSEITIOPPVBECZ-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-(2,4-difluorophenyl)-N-methylundecan-2-amine
CID 64560625
1-(5-fluoro-2-methylphenyl)-N-methyldecan-2-amine
CID 105377260
1-(2,5-difluorophenyl)octan-2-ol
CID 63901614
1-(4-bromo-2-fluorophenyl)-N-methylnonan-2-amine
CID 115844762
1-(4-bromo-2-fluorophenyl)-N-methyldecan-2-amine
CID 115844394
1-(2,5-dichlorophenyl)-N-methylnonan-2-amine
CID 115863293
1-(3-fluorophenyl)-N-methylundecan-2-amine
CID 63417215
1-(5-chloro-2-fluorophenyl)octan-2-ylhydrazine
CID 103053822
1-(5-chloro-2-fluorophenyl)decan-2-ylhydrazine
CID 103053761
1-(5-chloro-2-methoxyphenyl)-N-methylnonan-2-amine
CID 115845070
1-(3-bromo-4-fluorophenyl)-N-methylnonan-2-amine
CID 115819004
1-(2,5-difluorophenyl)-N,4,4-trimethylpentan-2-amine
CID 63891511

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-methylundecan-2-amine?
The IUPAC name of 1-(2,5-difluorophenyl)-N-methylundecan-2-amine (CID 115810021) is 1-(2,5-difluorophenyl)-N-methylundecan-2-amine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-methylundecan-2-amine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-methylundecan-2-amine is CCCCCCCCCC(Cc1cc(F)ccc1F)NC.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-methylundecan-2-amine?
The InChIKey is HSEITIOPPVBECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29F2N/c1-3-4-5-6-7-8-9-10-17(21-2)14-15-13-16(19)11-12-18(15)20/h11-13,17,21H,3-10,14H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-methylundecan-2-amine?
1-(2,5-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-(2,5-difluorophenyl)-N-methylundecan-2-amine is sourced from PubChem (CID 115810021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).