2-[(4-fluorophenyl)methyl]-N-methyldecan-1-amine

C18H30FN — CID 63522242

IUPAC2-[(4-fluorophenyl)methyl]-N-methyldecan-1-amine
SMILESCCCCCCCCC(CNC)Cc1ccc(F)cc1
InChIInChI=1S/C18H30FN/c1-3-4-5-6-7-8-9-17(15-20-2)14-16-10-12-18(19)13-11-16/h10-13,17,20H,3-9,14-15H2,1-2H3
InChIKeyCAYDLLPHRJBIED-UHFFFAOYSA-N
MW279.44 g/mol
LogP4.95
Rot. Bonds11

About 2-[(4-fluorophenyl)methyl]-N-methyldecan-1-amine

2-[(4-fluorophenyl)methyl]-N-methyldecan-1-amine (PubChem CID 63522242) has the molecular formula C18H30FN and a molecular weight of 279.44 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-N-methyldecan-1-amine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-N-methyldecan-1-amine
PubChem CID63522242
Molecular FormulaC18H30FN
Molecular Weight279.44 g/mol
Exact Mass279.24
IUPAC Name2-[(4-fluorophenyl)methyl]-N-methyldecan-1-amine
SMILESCCCCCCCCC(CNC)Cc1ccc(F)cc1
InChIInChI=1S/C18H30FN/c1-3-4-5-6-7-8-9-17(15-20-2)14-16-10-12-18(19)13-11-16/h10-13,17,20H,3-9,14-15H2,1-2H3
InChIKeyCAYDLLPHRJBIED-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.44
LogP ≤ 54.95
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

2-[(4-bromophenyl)methyl]-N-methylundecan-1-amine
CID 63521360
2-benzyl-N-methyldecan-1-amine
CID 63498488
2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)heptan-1-amine
CID 63520998
1-[2-(chloromethyl)octyl]-4-fluorobenzene
CID 66034373
5-ethylsulfanyl-2-[(4-fluorophenyl)methyl]-N-methylpentan-1-amine
CID 113474165
2-benzyl-N-methylhexan-1-amine
CID 62529253
2-[(4-methoxyphenyl)methyl]-N-methylhexan-1-amine
CID 55083396
1-(4-fluorophenyl)undecan-2-amine
CID 63412478
1-(4-fluorophenyl)octan-2-amine
CID 62600868
N-ethyl-2-[(4-fluorophenyl)methyl]-6-methylheptan-1-amine
CID 83169392
2-[(3-bromophenyl)methyl]-N-methyloctan-1-amine
CID 63522281
1-(2-chlorodecyl)-4-fluorobenzene
CID 65428544

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-N-methyldecan-1-amine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-N-methyldecan-1-amine (CID 63522242) is 2-[(4-fluorophenyl)methyl]-N-methyldecan-1-amine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-N-methyldecan-1-amine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-N-methyldecan-1-amine is CCCCCCCCC(CNC)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-N-methyldecan-1-amine?
The InChIKey is CAYDLLPHRJBIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FN/c1-3-4-5-6-7-8-9-17(15-20-2)14-16-10-12-18(19)13-11-16/h10-13,17,20H,3-9,14-15H2,1-2H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-N-methyldecan-1-amine?
2-[(4-fluorophenyl)methyl]-N-methyldecan-1-amine has a molecular weight of 279.44 g/mol, XLogP of 4.95, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-N-methyldecan-1-amine is sourced from PubChem (CID 63522242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).