methyl 2-[2-[(cycloheptylamino)methyl]phenyl]acetate

C17H25NO2 — CID 115461578

IUPACmethyl 2-[2-[(cycloheptylamino)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CNC1CCCCCC1
InChIInChI=1S/C17H25NO2/c1-20-17(19)12-14-8-6-7-9-15(14)13-18-16-10-4-2-3-5-11-16/h6-9,16,18H,2-5,10-13H2,1H3
InChIKeyYYKRFDXHSRPRBP-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.21
Rot. Bonds5

About methyl 2-[2-[(cycloheptylamino)methyl]phenyl]acetate

methyl 2-[2-[(cycloheptylamino)methyl]phenyl]acetate (PubChem CID 115461578) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is methyl 2-[2-[(cycloheptylamino)methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(cycloheptylamino)methyl]phenyl]acetate
PubChem CID115461578
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Namemethyl 2-[2-[(cycloheptylamino)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CNC1CCCCCC1
InChIInChI=1S/C17H25NO2/c1-20-17(19)12-14-8-6-7-9-15(14)13-18-16-10-4-2-3-5-11-16/h6-9,16,18H,2-5,10-13H2,1H3
InChIKeyYYKRFDXHSRPRBP-UHFFFAOYSA-N
XLogP3.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-[[(3-methylcyclohexyl)amino]methyl]phenyl]acetate
CID 115461590
methyl 2-[2-[[[(1R)-1-cyclohexylethyl]amino]methyl]phenyl]acetate
CID 115462242
methyl 2-[5-[(cyclohexylamino)methyl]thiophen-2-yl]acetate
CID 82894760
tert-butyl N-[[2-[(cyclohexylamino)methyl]phenyl]methyl]carbamate
CID 103698918
N-[2-[(cyclohexylamino)methyl]phenyl]acetamide
CID 66289861
methyl 2-[2-[[(2,3-dimethylcyclopentyl)amino]methyl]phenyl]acetate
CID 115462069
2-[(cyclohexylamino)methyl]benzoic acid
CID 17156908
N-[(2-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331524
methyl 2-[2-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]acetate
CID 115462531
2-[(cyclohexylamino)methyl]benzoic acid;hydrochloride
CID 17156907
[2-[(cyclopentylamino)methyl]phenyl]methanol;hydrochloride
CID 115592493
methyl 2-(2-cyclopentylphenyl)acetate
CID 117047538

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(cycloheptylamino)methyl]phenyl]acetate?
The IUPAC name of methyl 2-[2-[(cycloheptylamino)methyl]phenyl]acetate (CID 115461578) is methyl 2-[2-[(cycloheptylamino)methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[(cycloheptylamino)methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[(cycloheptylamino)methyl]phenyl]acetate is COC(=O)Cc1ccccc1CNC1CCCCCC1.
What is the InChIKey of methyl 2-[2-[(cycloheptylamino)methyl]phenyl]acetate?
The InChIKey is YYKRFDXHSRPRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-20-17(19)12-14-8-6-7-9-15(14)13-18-16-10-4-2-3-5-11-16/h6-9,16,18H,2-5,10-13H2,1H3.
What are the key properties of methyl 2-[2-[(cycloheptylamino)methyl]phenyl]acetate?
methyl 2-[2-[(cycloheptylamino)methyl]phenyl]acetate has a molecular weight of 275.39 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(cycloheptylamino)methyl]phenyl]acetate is sourced from PubChem (CID 115461578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).