(2S)-2-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]hexanamide

C15H23FN2O — CID 103831842

IUPAC(2S)-2-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]hexanamide
SMILESCCCC[C@H](N)C(=O)NCCc1ccc(F)cc1C
InChIInChI=1S/C15H23FN2O/c1-3-4-5-14(17)15(19)18-9-8-12-6-7-13(16)10-11(12)2/h6-7,10,14H,3-5,8-9,17H2,1-2H3,(H,18,19)/t14-/m0/s1
InChIKeyWMEKEHXHXMTZTI-AWEZNQCLSA-N
MW266.36 g/mol
LogP2.31
Rot. Bonds7

About (2S)-2-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]hexanamide

(2S)-2-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]hexanamide (PubChem CID 103831842) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]hexanamide
PubChem CID103831842
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name(2S)-2-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]hexanamide
SMILESCCCC[C@H](N)C(=O)NCCc1ccc(F)cc1C
InChIInChI=1S/C15H23FN2O/c1-3-4-5-14(17)15(19)18-9-8-12-6-7-13(16)10-11(12)2/h6-7,10,14H,3-5,8-9,17H2,1-2H3,(H,18,19)/t14-/m0/s1
InChIKeyWMEKEHXHXMTZTI-AWEZNQCLSA-N
XLogP2.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(4-fluoro-2-methylphenyl)hexanamide
CID 54928581
(2S)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]hexanamide
CID 93445031
2-amino-3-[2-(4-fluoro-2-methylphenyl)ethylamino]propanamide
CID 103257000
4-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylbenzamide
CID 115745663
1-amino-2-butyl-3-[2-(4-fluoro-2-methylphenyl)ethyl]guanidine
CID 116515867
N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propan-2-yloxyacetamide
CID 112697844
(2S)-2-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 103830895
3-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119952335
4-fluoro-2-methyl-1-pentylbenzene
CID 57094925
(2S)-2-amino-N-(2-chloro-5-fluorophenyl)hexanamide
CID 103831238
1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-(2-methylpropyl)thiourea
CID 113254028
1-amino-3-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propylguanidine
CID 116515869

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]hexanamide?
The IUPAC name of (2S)-2-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]hexanamide (CID 103831842) is (2S)-2-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]hexanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]hexanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]hexanamide is CCCC[C@H](N)C(=O)NCCc1ccc(F)cc1C.
What is the InChIKey of (2S)-2-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]hexanamide?
The InChIKey is WMEKEHXHXMTZTI-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-4-5-14(17)15(19)18-9-8-12-6-7-13(16)10-11(12)2/h6-7,10,14H,3-5,8-9,17H2,1-2H3,(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]hexanamide?
(2S)-2-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]hexanamide has a molecular weight of 266.36 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]hexanamide is sourced from PubChem (CID 103831842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).