1-(5-fluoro-2-methylphenyl)-N-methyldecan-2-amine

C18H30FN — CID 105377260

IUPAC1-(5-fluoro-2-methylphenyl)-N-methyldecan-2-amine
SMILESCCCCCCCCC(Cc1cc(F)ccc1C)NC
InChIInChI=1S/C18H30FN/c1-4-5-6-7-8-9-10-18(20-3)14-16-13-17(19)12-11-15(16)2/h11-13,18,20H,4-10,14H2,1-3H3
InChIKeyKSNWFYVOVHURRT-UHFFFAOYSA-N
MW279.44 g/mol
LogP5.02
Rot. Bonds10

About 1-(5-fluoro-2-methylphenyl)-N-methyldecan-2-amine

1-(5-fluoro-2-methylphenyl)-N-methyldecan-2-amine (PubChem CID 105377260) has the molecular formula C18H30FN and a molecular weight of 279.44 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-N-methyldecan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-N-methyldecan-2-amine
PubChem CID105377260
Molecular FormulaC18H30FN
Molecular Weight279.44 g/mol
Exact Mass279.24
IUPAC Name1-(5-fluoro-2-methylphenyl)-N-methyldecan-2-amine
SMILESCCCCCCCCC(Cc1cc(F)ccc1C)NC
InChIInChI=1S/C18H30FN/c1-4-5-6-7-8-9-10-18(20-3)14-16-13-17(19)12-11-15(16)2/h11-13,18,20H,4-10,14H2,1-3H3
InChIKeyKSNWFYVOVHURRT-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.44
LogP ≤ 55.02
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-(5-fluoro-2-methylphenyl)-N-propylheptan-2-amine
CID 105377481
1-(2,4-difluorophenyl)-N-methylundecan-2-amine
CID 64560625
N-methyl-1-(2-methylphenyl)octan-2-amine
CID 62605223
N-ethyl-1-(5-fluoro-2-methylphenyl)hexan-2-amine
CID 105374122
1-(5-fluoro-2-methylphenyl)nonan-2-amine
CID 105377125
1-(5-fluoro-2-methylphenyl)undecan-2-amine
CID 105377088
1-(3-fluorophenyl)-N-methylundecan-2-amine
CID 63417215
N-[(5-fluoro-2-methylphenyl)methyl]octan-2-amine
CID 105370909
1-(5-fluoro-2-methylphenyl)-N-methyl-3-phenylpropan-2-amine
CID 105373668
1-(4-bromo-2-fluorophenyl)-N-methylnonan-2-amine
CID 115844762
1-(4-bromo-2-fluorophenyl)-N-methyldecan-2-amine
CID 115844394

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-N-methyldecan-2-amine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-N-methyldecan-2-amine (CID 105377260) is 1-(5-fluoro-2-methylphenyl)-N-methyldecan-2-amine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-N-methyldecan-2-amine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-N-methyldecan-2-amine is CCCCCCCCC(Cc1cc(F)ccc1C)NC.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-N-methyldecan-2-amine?
The InChIKey is KSNWFYVOVHURRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FN/c1-4-5-6-7-8-9-10-18(20-3)14-16-13-17(19)12-11-15(16)2/h11-13,18,20H,4-10,14H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-N-methyldecan-2-amine?
1-(5-fluoro-2-methylphenyl)-N-methyldecan-2-amine has a molecular weight of 279.44 g/mol, XLogP of 5.02, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-N-methyldecan-2-amine is sourced from PubChem (CID 105377260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).