2-[(3-fluorophenyl)methyl-methylamino]hexanoic acid

C14H20FNO2 — CID 113373573

IUPAC2-[(3-fluorophenyl)methyl-methylamino]hexanoic acid
SMILESCCCCC(C(=O)O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C14H20FNO2/c1-3-4-8-13(14(17)18)16(2)10-11-6-5-7-12(15)9-11/h5-7,9,13H,3-4,8,10H2,1-2H3,(H,17,18)
InChIKeyFAHMNDIQKJAKFG-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.90
Rot. Bonds7

About 2-[(3-fluorophenyl)methyl-methylamino]hexanoic acid

2-[(3-fluorophenyl)methyl-methylamino]hexanoic acid (PubChem CID 113373573) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl-methylamino]hexanoic acid.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl-methylamino]hexanoic acid
PubChem CID113373573
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-[(3-fluorophenyl)methyl-methylamino]hexanoic acid
SMILESCCCCC(C(=O)O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C14H20FNO2/c1-3-4-8-13(14(17)18)16(2)10-11-6-5-7-12(15)9-11/h5-7,9,13H,3-4,8,10H2,1-2H3,(H,17,18)
InChIKeyFAHMNDIQKJAKFG-UHFFFAOYSA-N
XLogP2.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[benzyl(methyl)amino]hexanoic acid
CID 165358312
(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methylhexanamide
CID 103830963
3-ethyl-1-(3-fluorophenyl)heptan-2-one
CID 61079356
1-N-[(3-fluorophenyl)methyl]-1-N-methylhexane-1,2-diamine
CID 60852438
2-(diethylamino)-3-(3-fluorophenyl)propanoic acid
CID 83969897
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519
3-[(3-fluorophenyl)methyl-methylamino]-2-(methylamino)-3-oxopropanoic acid
CID 115189481
2-[(3-fluorophenyl)methyl-methylamino]-N,N-dimethyl-2-phenylacetamide
CID 78815730
2-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]hexanamide
CID 60939195
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
2-amino-3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 115179409
3-[4-(3-fluorophenyl)butan-2-yl-methylamino]propanoic acid
CID 122037359

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl-methylamino]hexanoic acid?
The IUPAC name of 2-[(3-fluorophenyl)methyl-methylamino]hexanoic acid (CID 113373573) is 2-[(3-fluorophenyl)methyl-methylamino]hexanoic acid.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl-methylamino]hexanoic acid?
The canonical SMILES for 2-[(3-fluorophenyl)methyl-methylamino]hexanoic acid is CCCCC(C(=O)O)N(C)Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl-methylamino]hexanoic acid?
The InChIKey is FAHMNDIQKJAKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-3-4-8-13(14(17)18)16(2)10-11-6-5-7-12(15)9-11/h5-7,9,13H,3-4,8,10H2,1-2H3,(H,17,18).
What are the key properties of 2-[(3-fluorophenyl)methyl-methylamino]hexanoic acid?
2-[(3-fluorophenyl)methyl-methylamino]hexanoic acid has a molecular weight of 253.32 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl-methylamino]hexanoic acid is sourced from PubChem (CID 113373573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).