2-[(2-methoxy-5-methylphenyl)methylamino]hexanoic acid

C15H23NO3 — CID 120510198

IUPAC2-[(2-methoxy-5-methylphenyl)methylamino]hexanoic acid
SMILESCCCCC(NCc1cc(C)ccc1OC)C(=O)O
InChIInChI=1S/C15H23NO3/c1-4-5-6-13(15(17)18)16-10-12-9-11(2)7-8-14(12)19-3/h7-9,13,16H,4-6,10H2,1-3H3,(H,17,18)
InChIKeyOOGZYCZDYLLXQG-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.74
Rot. Bonds8

About 2-[(2-methoxy-5-methylphenyl)methylamino]hexanoic acid

2-[(2-methoxy-5-methylphenyl)methylamino]hexanoic acid (PubChem CID 120510198) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[(2-methoxy-5-methylphenyl)methylamino]hexanoic acid.

Molecular Properties

Compound Name2-[(2-methoxy-5-methylphenyl)methylamino]hexanoic acid
PubChem CID120510198
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[(2-methoxy-5-methylphenyl)methylamino]hexanoic acid
SMILESCCCCC(NCc1cc(C)ccc1OC)C(=O)O
InChIInChI=1S/C15H23NO3/c1-4-5-6-13(15(17)18)16-10-12-9-11(2)7-8-14(12)19-3/h7-9,13,16H,4-6,10H2,1-3H3,(H,17,18)
InChIKeyOOGZYCZDYLLXQG-UHFFFAOYSA-N
XLogP2.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methoxy-5-methylphenyl)methylamino]pentanoic acid
CID 43631579
N-[(2-methoxy-5-methylphenyl)methyl]hexan-2-amine
CID 62199273
(2S)-2-[(2,4-dimethoxyphenyl)methylamino]hexanoic acid
CID 120511723
(2R)-2-[(2-methoxy-5-methylphenyl)methylamino]-3-methylbutanoic acid
CID 93056746
2-[(3-hydroxy-4-methoxyphenyl)methylamino]hexanoic acid
CID 120510164
2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]butanoic acid
CID 43388197
N-[(2-methoxy-5-methylphenyl)methyl]pentan-2-amine
CID 43406677
(2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]hexanoic acid
CID 107144268
(2S)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]hexanoic acid
CID 120511758
2-[(2,5-dimethoxyphenyl)methylamino]butanoic acid
CID 82364659
2-[(2-methoxy-5-methylphenyl)methylcarbamoyl]butanoic acid
CID 115185960
3-amino-1-(2-methoxy-5-methylphenyl)heptan-2-one
CID 116556836

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-methylphenyl)methylamino]hexanoic acid?
The IUPAC name of 2-[(2-methoxy-5-methylphenyl)methylamino]hexanoic acid (CID 120510198) is 2-[(2-methoxy-5-methylphenyl)methylamino]hexanoic acid.
What is the SMILES notation for 2-[(2-methoxy-5-methylphenyl)methylamino]hexanoic acid?
The canonical SMILES for 2-[(2-methoxy-5-methylphenyl)methylamino]hexanoic acid is CCCCC(NCc1cc(C)ccc1OC)C(=O)O.
What is the InChIKey of 2-[(2-methoxy-5-methylphenyl)methylamino]hexanoic acid?
The InChIKey is OOGZYCZDYLLXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-5-6-13(15(17)18)16-10-12-9-11(2)7-8-14(12)19-3/h7-9,13,16H,4-6,10H2,1-3H3,(H,17,18).
What are the key properties of 2-[(2-methoxy-5-methylphenyl)methylamino]hexanoic acid?
2-[(2-methoxy-5-methylphenyl)methylamino]hexanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-methylphenyl)methylamino]hexanoic acid is sourced from PubChem (CID 120510198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).