methyl 2-[(2-methoxyphenyl)methyl-methylamino]hexanoate

C16H25NO3 — CID 115666744

IUPACmethyl 2-[(2-methoxyphenyl)methyl-methylamino]hexanoate
SMILESCCCCC(C(=O)OC)N(C)Cc1ccccc1OC
InChIInChI=1S/C16H25NO3/c1-5-6-10-14(16(18)20-4)17(2)12-13-9-7-8-11-15(13)19-3/h7-9,11,14H,5-6,10,12H2,1-4H3
InChIKeyAWCXMGFPFJZFPL-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.86
Rot. Bonds8

About methyl 2-[(2-methoxyphenyl)methyl-methylamino]hexanoate

methyl 2-[(2-methoxyphenyl)methyl-methylamino]hexanoate (PubChem CID 115666744) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is methyl 2-[(2-methoxyphenyl)methyl-methylamino]hexanoate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxyphenyl)methyl-methylamino]hexanoate
PubChem CID115666744
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Namemethyl 2-[(2-methoxyphenyl)methyl-methylamino]hexanoate
SMILESCCCCC(C(=O)OC)N(C)Cc1ccccc1OC
InChIInChI=1S/C16H25NO3/c1-5-6-10-14(16(18)20-4)17(2)12-13-9-7-8-11-15(13)19-3/h7-9,11,14H,5-6,10,12H2,1-4H3
InChIKeyAWCXMGFPFJZFPL-UHFFFAOYSA-N
XLogP2.86
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxyphenyl)methyl-methylamino]butanedioic acid
CID 115144426
(2S)-2-[(2-methoxyphenyl)methyl-methylamino]-4-methylpentanoic acid
CID 70067664
3-[(2-methoxyphenyl)methyl-methylamino]-2-methylbutanehydrazide
CID 79408377
methyl (2S)-2-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]hexanoate
CID 97308730
1-N-ethyl-2-N-[(2-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine
CID 83054110
4-amino-N-ethyl-3-[(2-methoxyphenyl)methyl-methylamino]butanamide
CID 66428224
2-[(2-methoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide
CID 78815655
1-[(2-methoxyphenyl)methyl-methylamino]ethanol
CID 67668408
1-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 62436283
2-N-[(2-methoxyphenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 55072074
1-N-ethyl-1-N-[(2-methoxyphenyl)methyl]hexane-1,2-diamine
CID 91088877
(2S)-2-amino-N-(2-methoxyphenyl)-N-methylhexanamide
CID 103831499

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxyphenyl)methyl-methylamino]hexanoate?
The IUPAC name of methyl 2-[(2-methoxyphenyl)methyl-methylamino]hexanoate (CID 115666744) is methyl 2-[(2-methoxyphenyl)methyl-methylamino]hexanoate.
What is the SMILES notation for methyl 2-[(2-methoxyphenyl)methyl-methylamino]hexanoate?
The canonical SMILES for methyl 2-[(2-methoxyphenyl)methyl-methylamino]hexanoate is CCCCC(C(=O)OC)N(C)Cc1ccccc1OC.
What is the InChIKey of methyl 2-[(2-methoxyphenyl)methyl-methylamino]hexanoate?
The InChIKey is AWCXMGFPFJZFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-6-10-14(16(18)20-4)17(2)12-13-9-7-8-11-15(13)19-3/h7-9,11,14H,5-6,10,12H2,1-4H3.
What are the key properties of methyl 2-[(2-methoxyphenyl)methyl-methylamino]hexanoate?
methyl 2-[(2-methoxyphenyl)methyl-methylamino]hexanoate has a molecular weight of 279.38 g/mol, XLogP of 2.86, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxyphenyl)methyl-methylamino]hexanoate is sourced from PubChem (CID 115666744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).