(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methylhexanamide

C14H21FN2O — CID 103830963

IUPAC(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methylhexanamide
SMILESCCCC[C@H](N)C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-3-4-8-13(16)14(18)17(2)10-11-6-5-7-12(15)9-11/h5-7,9,13H,3-4,8,10,16H2,1-2H3/t13-/m0/s1
InChIKeyXYRGUMSFQDXNEK-ZDUSSCGKSA-N
MW252.33 g/mol
LogP2.30
Rot. Bonds6

About (2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methylhexanamide

(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methylhexanamide (PubChem CID 103830963) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methylhexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methylhexanamide
PubChem CID103830963
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methylhexanamide
SMILESCCCC[C@H](N)C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-3-4-8-13(16)14(18)17(2)10-11-6-5-7-12(15)9-11/h5-7,9,13H,3-4,8,10,16H2,1-2H3/t13-/m0/s1
InChIKeyXYRGUMSFQDXNEK-ZDUSSCGKSA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

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Related Compounds

4-amino-5-[(3-fluorophenyl)methyl-methylamino]-5-oxopentanoic acid
CID 64895214
2-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]hexanamide
CID 60939195
(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
CID 28802517
2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
CID 43211990
2-amino-N-[(3-cyanophenyl)methyl]-N-methylhexanamide
CID 54870529
2-amino-3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 115179409
2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 43211988
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519
(2S)-2-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylhexanamide
CID 103831526
1-N-[(3-fluorophenyl)methyl]-1-N-methylhexane-1,2-diamine
CID 60852438
2-[(3-fluorophenyl)methyl-methylamino]hexanoic acid
CID 113373573
2-[ethyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 60516816

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methylhexanamide?
The IUPAC name of (2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methylhexanamide (CID 103830963) is (2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methylhexanamide.
What is the SMILES notation for (2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methylhexanamide?
The canonical SMILES for (2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methylhexanamide is CCCC[C@H](N)C(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of (2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methylhexanamide?
The InChIKey is XYRGUMSFQDXNEK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-3-4-8-13(16)14(18)17(2)10-11-6-5-7-12(15)9-11/h5-7,9,13H,3-4,8,10,16H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methylhexanamide?
(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methylhexanamide has a molecular weight of 252.33 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methylhexanamide is sourced from PubChem (CID 103830963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).