2-(2-fluorophenyl)-N-methyldodecan-1-amine

C19H32FN — CID 79435505

IUPAC2-(2-fluorophenyl)-N-methyldodecan-1-amine
SMILESCCCCCCCCCCC(CNC)c1ccccc1F
InChIInChI=1S/C19H32FN/c1-3-4-5-6-7-8-9-10-13-17(16-21-2)18-14-11-12-15-19(18)20/h11-12,14-15,17,21H,3-10,13,16H2,1-2H3
InChIKeyKYZGYFLTXHLBPW-UHFFFAOYSA-N
MW293.47 g/mol
LogP5.66
Rot. Bonds12

About 2-(2-fluorophenyl)-N-methyldodecan-1-amine

2-(2-fluorophenyl)-N-methyldodecan-1-amine (PubChem CID 79435505) has the molecular formula C19H32FN and a molecular weight of 293.47 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-methyldodecan-1-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-methyldodecan-1-amine
PubChem CID79435505
Molecular FormulaC19H32FN
Molecular Weight293.47 g/mol
Exact Mass293.25
IUPAC Name2-(2-fluorophenyl)-N-methyldodecan-1-amine
SMILESCCCCCCCCCCC(CNC)c1ccccc1F
InChIInChI=1S/C19H32FN/c1-3-4-5-6-7-8-9-10-13-17(16-21-2)18-14-11-12-15-19(18)20/h11-12,14-15,17,21H,3-10,13,16H2,1-2H3
InChIKeyKYZGYFLTXHLBPW-UHFFFAOYSA-N
XLogP5.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.47
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2-fluorophenyl)-N-methyldodecan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butoxy-2-(2-fluorophenyl)-N-methylbutan-1-amine
CID 79439304
2-(2-bromophenyl)-N-methylundecan-1-amine
CID 79448779
3-(2-fluorophenyl)-4-(hexylamino)butanal
CID 170080548
2-(2-fluorophenyl)-N,5,5-trimethylhexan-1-amine
CID 79439065
1-(2-fluorophenyl)dodecylhydrazine
CID 105292285
2-(2-fluorophenyl)-N-methyl-4-phenoxybutan-1-amine
CID 79439067
4-butoxy-N-ethyl-2-(2-fluorophenyl)butan-1-amine
CID 79439765
2-(2-fluorophenyl)-5-methoxy-N-propylpentan-1-amine
CID 79439292
1-(2-fluorophenyl)-N-methylpentan-1-amine
CID 63083903
2-(2-fluorophenyl)-N-methyl-2-propoxyethanamine
CID 62108186
N-methyl-2-(4-methylphenyl)nonan-1-amine
CID 79436826
3-(2,3-difluorophenyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79439526

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-methyldodecan-1-amine?
The IUPAC name of 2-(2-fluorophenyl)-N-methyldodecan-1-amine (CID 79435505) is 2-(2-fluorophenyl)-N-methyldodecan-1-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-N-methyldodecan-1-amine?
The canonical SMILES for 2-(2-fluorophenyl)-N-methyldodecan-1-amine is CCCCCCCCCCC(CNC)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-N-methyldodecan-1-amine?
The InChIKey is KYZGYFLTXHLBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32FN/c1-3-4-5-6-7-8-9-10-13-17(16-21-2)18-14-11-12-15-19(18)20/h11-12,14-15,17,21H,3-10,13,16H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-N-methyldodecan-1-amine?
2-(2-fluorophenyl)-N-methyldodecan-1-amine has a molecular weight of 293.47 g/mol, XLogP of 5.66, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-methyldodecan-1-amine is sourced from PubChem (CID 79435505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).