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

C22H38FN — CID 6425660

IUPACN-[(2-fluorophenyl)methyl]-N-heptyloctan-1-amine
SMILESCCCCCCCCN(CCCCCCC)Cc1ccccc1F
InChIInChI=1S/C22H38FN/c1-3-5-7-9-11-15-19-24(18-14-10-8-6-4-2)20-21-16-12-13-17-22(21)23/h12-13,16-17H,3-11,14-15,18-20H2,1-2H3
InChIKeyJUTISAYJENVJEW-UHFFFAOYSA-N
MW335.55 g/mol
LogP6.96
Rot. Bonds15

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

N-[(2-fluorophenyl)methyl]-N-heptyloctan-1-amine (PubChem CID 6425660) has the molecular formula C22H38FN and a molecular weight of 335.55 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-heptyloctan-1-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-heptyloctan-1-amine
PubChem CID6425660
Molecular FormulaC22H38FN
Molecular Weight335.55 g/mol
Exact Mass335.30
IUPAC NameN-[(2-fluorophenyl)methyl]-N-heptyloctan-1-amine
SMILESCCCCCCCCN(CCCCCCC)Cc1ccccc1F
InChIInChI=1S/C22H38FN/c1-3-5-7-9-11-15-19-24(18-14-10-8-6-4-2)20-21-16-12-13-17-22(21)23/h12-13,16-17H,3-11,14-15,18-20H2,1-2H3
InChIKeyJUTISAYJENVJEW-UHFFFAOYSA-N
XLogP6.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.55
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-benzyl-N-propylhexan-1-amine
CID 123983090
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N'-benzyl-N'-hexadecylethane-1,2-diamine
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N,N-dibenzylnonan-1-amine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-heptyloctan-1-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-heptyloctan-1-amine (CID 6425660) is N-[(2-fluorophenyl)methyl]-N-heptyloctan-1-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-heptyloctan-1-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-heptyloctan-1-amine is CCCCCCCCN(CCCCCCC)Cc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-heptyloctan-1-amine?
The InChIKey is JUTISAYJENVJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38FN/c1-3-5-7-9-11-15-19-24(18-14-10-8-6-4-2)20-21-16-12-13-17-22(21)23/h12-13,16-17H,3-11,14-15,18-20H2,1-2H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-heptyloctan-1-amine?
N-[(2-fluorophenyl)methyl]-N-heptyloctan-1-amine has a molecular weight of 335.55 g/mol, XLogP of 6.96, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-heptyloctan-1-amine is sourced from PubChem (CID 6425660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).