N-[(2-fluorophenyl)methyl]undecan-6-amine

C18H30FN — CID 43763687

IUPACN-[(2-fluorophenyl)methyl]undecan-6-amine
SMILESCCCCCC(CCCCC)NCc1ccccc1F
InChIInChI=1S/C18H30FN/c1-3-5-7-12-17(13-8-6-4-2)20-15-16-11-9-10-14-18(16)19/h9-11,14,17,20H,3-8,12-13,15H2,1-2H3
InChIKeyAQGVCDJLNWBVNO-UHFFFAOYSA-N
MW279.44 g/mol
LogP5.44
Rot. Bonds11

About N-[(2-fluorophenyl)methyl]undecan-6-amine

N-[(2-fluorophenyl)methyl]undecan-6-amine (PubChem CID 43763687) has the molecular formula C18H30FN and a molecular weight of 279.44 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]undecan-6-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]undecan-6-amine
PubChem CID43763687
Molecular FormulaC18H30FN
Molecular Weight279.44 g/mol
Exact Mass279.24
IUPAC NameN-[(2-fluorophenyl)methyl]undecan-6-amine
SMILESCCCCCC(CCCCC)NCc1ccccc1F
InChIInChI=1S/C18H30FN/c1-3-5-7-12-17(13-8-6-4-2)20-15-16-11-9-10-14-18(16)19/h9-11,14,17,20H,3-8,12-13,15H2,1-2H3
InChIKeyAQGVCDJLNWBVNO-UHFFFAOYSA-N
XLogP5.44
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 ≤ 55.44
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

N-ethyl-1-(2-fluorophenyl)undecan-2-amine
CID 63416880
2-[(2-fluorophenyl)methylamino]hexanoic acid
CID 82364371
N-benzyltridecan-6-amine
CID 166644944
N-[(2,6-difluorophenyl)methyl]octan-4-amine
CID 106023231
N-[(2-fluorophenyl)methyl]octan-1-amine
CID 4722837
N-[(2-fluorophenyl)methyl]hexadecan-1-amine
CID 54795853
1-fluoro-2-heptylbenzene
CID 20721019
N-[(2-fluorophenyl)methyl]-1-phenylbutan-1-amine
CID 17156263
1-(2-fluorophenyl)hexan-2-ylhydrazine
CID 105206821
N-[(2-fluorophenyl)methyl]-1-phenylbutan-2-amine
CID 78924574
N-[(2-bromo-5-fluorophenyl)methyl]undecan-6-amine
CID 63452545
methyl 2-[(2-fluorophenyl)methylamino]hexanoate
CID 113268584

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]undecan-6-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]undecan-6-amine (CID 43763687) is N-[(2-fluorophenyl)methyl]undecan-6-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]undecan-6-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]undecan-6-amine is CCCCCC(CCCCC)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]undecan-6-amine?
The InChIKey is AQGVCDJLNWBVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FN/c1-3-5-7-12-17(13-8-6-4-2)20-15-16-11-9-10-14-18(16)19/h9-11,14,17,20H,3-8,12-13,15H2,1-2H3.
What are the key properties of N-[(2-fluorophenyl)methyl]undecan-6-amine?
N-[(2-fluorophenyl)methyl]undecan-6-amine has a molecular weight of 279.44 g/mol, XLogP of 5.44, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]undecan-6-amine is sourced from PubChem (CID 43763687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).