N-[(2-fluorophenyl)methyl]hexadecan-1-amine

C23H40FN — CID 54795853

IUPACN-[(2-fluorophenyl)methyl]hexadecan-1-amine
SMILESCCCCCCCCCCCCCCCCNCc1ccccc1F
InChIInChI=1S/C23H40FN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-25-21-22-18-15-16-19-23(22)24/h15-16,18-19,25H,2-14,17,20-21H2,1H3
InChIKeyNMMDOWZDFQSRDC-UHFFFAOYSA-N
MW349.58 g/mol
LogP7.40
Rot. Bonds17

About N-[(2-fluorophenyl)methyl]hexadecan-1-amine

N-[(2-fluorophenyl)methyl]hexadecan-1-amine (PubChem CID 54795853) has the molecular formula C23H40FN and a molecular weight of 349.58 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]hexadecan-1-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]hexadecan-1-amine
PubChem CID54795853
Molecular FormulaC23H40FN
Molecular Weight349.58 g/mol
Exact Mass349.31
IUPAC NameN-[(2-fluorophenyl)methyl]hexadecan-1-amine
SMILESCCCCCCCCCCCCCCCCNCc1ccccc1F
InChIInChI=1S/C23H40FN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-25-21-22-18-15-16-19-23(22)24/h15-16,18-19,25H,2-14,17,20-21H2,1H3
InChIKeyNMMDOWZDFQSRDC-UHFFFAOYSA-N
XLogP7.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.58
LogP ≤ 57.40
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-[(2-fluorophenyl)methyl]octan-1-amine
CID 4722837
N-[[2-[(heptylamino)methyl]phenyl]methyl]heptan-1-amine
CID 14801566
N'-[(2-fluorophenyl)methyl]hexane-1,6-diamine
CID 83960643
N-[2-(2-fluorophenyl)ethyl]pentan-1-amine
CID 28576989
N-[(2-methylphenyl)methyl]dodecan-1-amine
CID 60663920
N-ethyl-N'-[(2-fluorophenyl)methyl]ethane-1,2-diamine
CID 83962888
N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]octan-1-amine
CID 4722755
N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]octan-1-amine;hydrochloride
CID 17212617
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]octan-1-amine;hydrochloride
CID 17331211
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine
CID 4722045
N-[(2-methoxyphenyl)methyl]hexan-1-amine
CID 4716798
N-(naphthalen-1-ylmethyl)decan-1-amine;hydrochloride
CID 118513338

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]hexadecan-1-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]hexadecan-1-amine (CID 54795853) is N-[(2-fluorophenyl)methyl]hexadecan-1-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]hexadecan-1-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]hexadecan-1-amine is CCCCCCCCCCCCCCCCNCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]hexadecan-1-amine?
The InChIKey is NMMDOWZDFQSRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40FN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-25-21-22-18-15-16-19-23(22)24/h15-16,18-19,25H,2-14,17,20-21H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]hexadecan-1-amine?
N-[(2-fluorophenyl)methyl]hexadecan-1-amine has a molecular weight of 349.58 g/mol, XLogP of 7.40, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]hexadecan-1-amine is sourced from PubChem (CID 54795853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).