6-amino-N-[(2-fluorophenyl)methyl]-N-methylhexanamide

C14H21FN2O — CID 43579165

IUPAC6-amino-N-[(2-fluorophenyl)methyl]-N-methylhexanamide
SMILESCN(Cc1ccccc1F)C(=O)CCCCCN
InChIInChI=1S/C14H21FN2O/c1-17(14(18)9-3-2-6-10-16)11-12-7-4-5-8-13(12)15/h4-5,7-8H,2-3,6,9-11,16H2,1H3
InChIKeyOTQWBNMHXVIWII-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.30
Rot. Bonds7

About 6-amino-N-[(2-fluorophenyl)methyl]-N-methylhexanamide

6-amino-N-[(2-fluorophenyl)methyl]-N-methylhexanamide (PubChem CID 43579165) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 6-amino-N-[(2-fluorophenyl)methyl]-N-methylhexanamide.

Molecular Properties

Compound Name6-amino-N-[(2-fluorophenyl)methyl]-N-methylhexanamide
PubChem CID43579165
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name6-amino-N-[(2-fluorophenyl)methyl]-N-methylhexanamide
SMILESCN(Cc1ccccc1F)C(=O)CCCCCN
InChIInChI=1S/C14H21FN2O/c1-17(14(18)9-3-2-6-10-16)11-12-7-4-5-8-13(12)15/h4-5,7-8H,2-3,6,9-11,16H2,1H3
InChIKeyOTQWBNMHXVIWII-UHFFFAOYSA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-[(2-chlorophenyl)methyl]-N-methylheptanamide;hydrochloride
CID 119682648
7-amino-N-[(2-methoxyphenyl)methyl]-N-methylheptanamide
CID 61027379
6-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylhexanamide
CID 54869007
7-amino-N-[(2-fluorophenyl)methyl]-N-prop-2-enylheptanamide
CID 119746541
6-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylhexanamide
CID 60936664
4-amino-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 81070310
6-amino-N-[(2,4-dimethylphenyl)methyl]-N-methylhexanamide
CID 60940329
7-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]heptanamide
CID 61426506
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
3-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]-N-methylpropanamide
CID 61413671
4-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride
CID 119278553
N-[(2-aminophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 43458424

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(2-fluorophenyl)methyl]-N-methylhexanamide?
The IUPAC name of 6-amino-N-[(2-fluorophenyl)methyl]-N-methylhexanamide (CID 43579165) is 6-amino-N-[(2-fluorophenyl)methyl]-N-methylhexanamide.
What is the SMILES notation for 6-amino-N-[(2-fluorophenyl)methyl]-N-methylhexanamide?
The canonical SMILES for 6-amino-N-[(2-fluorophenyl)methyl]-N-methylhexanamide is CN(Cc1ccccc1F)C(=O)CCCCCN.
What is the InChIKey of 6-amino-N-[(2-fluorophenyl)methyl]-N-methylhexanamide?
The InChIKey is OTQWBNMHXVIWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-17(14(18)9-3-2-6-10-16)11-12-7-4-5-8-13(12)15/h4-5,7-8H,2-3,6,9-11,16H2,1H3.
What are the key properties of 6-amino-N-[(2-fluorophenyl)methyl]-N-methylhexanamide?
6-amino-N-[(2-fluorophenyl)methyl]-N-methylhexanamide has a molecular weight of 252.33 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(2-fluorophenyl)methyl]-N-methylhexanamide is sourced from PubChem (CID 43579165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).