1-(3-fluorophenyl)-N-methylundecan-2-amine

C18H30FN — CID 63417215

IUPAC1-(3-fluorophenyl)-N-methylundecan-2-amine
SMILESCCCCCCCCCC(Cc1cccc(F)c1)NC
InChIInChI=1S/C18H30FN/c1-3-4-5-6-7-8-9-13-18(20-2)15-16-11-10-12-17(19)14-16/h10-12,14,18,20H,3-9,13,15H2,1-2H3
InChIKeyVIDJIUSDHIVEFR-UHFFFAOYSA-N
MW279.44 g/mol
LogP5.10
Rot. Bonds11

About 1-(3-fluorophenyl)-N-methylundecan-2-amine

1-(3-fluorophenyl)-N-methylundecan-2-amine (PubChem CID 63417215) has the molecular formula C18H30FN and a molecular weight of 279.44 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-methylundecan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-methylundecan-2-amine
PubChem CID63417215
Molecular FormulaC18H30FN
Molecular Weight279.44 g/mol
Exact Mass279.24
IUPAC Name1-(3-fluorophenyl)-N-methylundecan-2-amine
SMILESCCCCCCCCCC(Cc1cccc(F)c1)NC
InChIInChI=1S/C18H30FN/c1-3-4-5-6-7-8-9-13-18(20-2)15-16-11-10-12-17(19)14-16/h10-12,14,18,20H,3-9,13,15H2,1-2H3
InChIKeyVIDJIUSDHIVEFR-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.44
LogP ≤ 55.10
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-(3-fluorophenyl)nonan-2-ylhydrazine
CID 105204716
1-(3-chlorophenyl)-N-methyldodecan-2-amine
CID 63412373
N-methyl-1-phenyldecan-2-amine
CID 63412341
1-(3-fluorophenyl)nonan-2-amine
CID 63417129
1-N,1-N-diethyl-4-(3-fluorophenyl)-3-N-methylbutane-1,3-diamine
CID 79087242
1-(3-bromo-4-fluorophenyl)-N-methylnonan-2-amine
CID 115819004
1-(2,6-difluorophenyl)-N-methyloctan-2-amine
CID 114753002
1-(2,4-difluorophenyl)-N-methylundecan-2-amine
CID 64560625
1-[2-(chloromethyl)dodecyl]-3-fluorobenzene
CID 66050539
1-(2,5-difluorophenyl)-N-methylundecan-2-amine
CID 115810021
2-[(3-fluorophenyl)methyl]octan-1-amine
CID 62529193
N-ethyl-1-(3-fluorophenyl)-6-methylheptan-2-amine
CID 83161562

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-methylundecan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-methylundecan-2-amine (CID 63417215) is 1-(3-fluorophenyl)-N-methylundecan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-methylundecan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-methylundecan-2-amine is CCCCCCCCCC(Cc1cccc(F)c1)NC.
What is the InChIKey of 1-(3-fluorophenyl)-N-methylundecan-2-amine?
The InChIKey is VIDJIUSDHIVEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FN/c1-3-4-5-6-7-8-9-13-18(20-2)15-16-11-10-12-17(19)14-16/h10-12,14,18,20H,3-9,13,15H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N-methylundecan-2-amine?
1-(3-fluorophenyl)-N-methylundecan-2-amine has a molecular weight of 279.44 g/mol, XLogP of 5.10, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-methylundecan-2-amine is sourced from PubChem (CID 63417215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).