6-amino-N-[(3-fluoro-4-methylphenyl)methyl]hexanamide

C14H21FN2O — CID 43471392

IUPAC6-amino-N-[(3-fluoro-4-methylphenyl)methyl]hexanamide
SMILESCc1ccc(CNC(=O)CCCCCN)cc1F
InChIInChI=1S/C14H21FN2O/c1-11-6-7-12(9-13(11)15)10-17-14(18)5-3-2-4-8-16/h6-7,9H,2-5,8,10,16H2,1H3,(H,17,18)
InChIKeyYMZJGMJOULZVEY-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.27
Rot. Bonds7

About 6-amino-N-[(3-fluoro-4-methylphenyl)methyl]hexanamide

6-amino-N-[(3-fluoro-4-methylphenyl)methyl]hexanamide (PubChem CID 43471392) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 6-amino-N-[(3-fluoro-4-methylphenyl)methyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[(3-fluoro-4-methylphenyl)methyl]hexanamide
PubChem CID43471392
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name6-amino-N-[(3-fluoro-4-methylphenyl)methyl]hexanamide
SMILESCc1ccc(CNC(=O)CCCCCN)cc1F
InChIInChI=1S/C14H21FN2O/c1-11-6-7-12(9-13(11)15)10-17-14(18)5-3-2-4-8-16/h6-7,9H,2-5,8,10,16H2,1H3,(H,17,18)
InChIKeyYMZJGMJOULZVEY-UHFFFAOYSA-N
XLogP2.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(3-fluoro-4-methylphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 34316547
3-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide
CID 62833982
6-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 24704997
N-[(3-fluoro-4-methylphenyl)methyl]-2-(methylamino)acetamide
CID 43388450
7-amino-N-[(4-chlorophenyl)methyl]heptanamide
CID 28738770
7-amino-N-[[4-(dimethylamino)phenyl]methyl]heptanamide
CID 61250502
N-[(3,4-difluorophenyl)methyl]-4-(methylamino)butanamide
CID 54966098
4-amino-N-[(3-chloro-4-fluorophenyl)methyl]butanamide
CID 62538443
N-[(4-acetamidophenyl)methyl]-7-aminoheptanamide
CID 61260684
4-[(6-aminohexanoylamino)methyl]-N-methylbenzamide
CID 61251692
4-[(7-aminoheptanoylamino)methyl]-N,N-dimethylbenzamide
CID 119701704
N-[(3-fluoro-4-methylphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 112722669

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(3-fluoro-4-methylphenyl)methyl]hexanamide?
The IUPAC name of 6-amino-N-[(3-fluoro-4-methylphenyl)methyl]hexanamide (CID 43471392) is 6-amino-N-[(3-fluoro-4-methylphenyl)methyl]hexanamide.
What is the SMILES notation for 6-amino-N-[(3-fluoro-4-methylphenyl)methyl]hexanamide?
The canonical SMILES for 6-amino-N-[(3-fluoro-4-methylphenyl)methyl]hexanamide is Cc1ccc(CNC(=O)CCCCCN)cc1F.
What is the InChIKey of 6-amino-N-[(3-fluoro-4-methylphenyl)methyl]hexanamide?
The InChIKey is YMZJGMJOULZVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-11-6-7-12(9-13(11)15)10-17-14(18)5-3-2-4-8-16/h6-7,9H,2-5,8,10,16H2,1H3,(H,17,18).
What are the key properties of 6-amino-N-[(3-fluoro-4-methylphenyl)methyl]hexanamide?
6-amino-N-[(3-fluoro-4-methylphenyl)methyl]hexanamide has a molecular weight of 252.33 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(3-fluoro-4-methylphenyl)methyl]hexanamide is sourced from PubChem (CID 43471392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).