methyl 2-[2-[[(2,3-dimethylcyclopentyl)amino]methyl]phenyl]acetate

C17H25NO2 — CID 115462069

IUPACmethyl 2-[2-[[(2,3-dimethylcyclopentyl)amino]methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CNC1CCC(C)C1C
InChIInChI=1S/C17H25NO2/c1-12-8-9-16(13(12)2)18-11-15-7-5-4-6-14(15)10-17(19)20-3/h4-7,12-13,16,18H,8-11H2,1-3H3
InChIKeyIPXIMMOMXXLWEH-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.93
Rot. Bonds5

About methyl 2-[2-[[(2,3-dimethylcyclopentyl)amino]methyl]phenyl]acetate

methyl 2-[2-[[(2,3-dimethylcyclopentyl)amino]methyl]phenyl]acetate (PubChem CID 115462069) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is methyl 2-[2-[[(2,3-dimethylcyclopentyl)amino]methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[[(2,3-dimethylcyclopentyl)amino]methyl]phenyl]acetate
PubChem CID115462069
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Namemethyl 2-[2-[[(2,3-dimethylcyclopentyl)amino]methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CNC1CCC(C)C1C
InChIInChI=1S/C17H25NO2/c1-12-8-9-16(13(12)2)18-11-15-7-5-4-6-14(15)10-17(19)20-3/h4-7,12-13,16,18H,8-11H2,1-3H3
InChIKeyIPXIMMOMXXLWEH-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-[(cycloheptylamino)methyl]phenyl]acetate
CID 115461578
N-[(2-bromophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64909294
2,3-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine
CID 64909083
methyl 2-[2-[[(3-methylcyclohexyl)amino]methyl]phenyl]acetate
CID 115461590
methyl 2-[2-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]acetate
CID 115462531
methyl 2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]phenyl]acetate
CID 106133501
methyl 2-[2-[(1-cyclopropylethylamino)methyl]phenyl]acetate
CID 115461620
N-[[2-(ethoxymethyl)phenyl]methyl]-2,3-dimethylcyclohexan-1-amine
CID 64762280
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3-dimethylcyclopentan-1-amine
CID 64909930
methyl 2-[2-[(2,3-dimethylpiperidin-1-yl)methyl]phenyl]acetate
CID 115462840
methyl 2-[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]acetate
CID 115462844
2-[[(2,3-dimethylcyclohexyl)amino]methyl]aniline
CID 66386630

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[(2,3-dimethylcyclopentyl)amino]methyl]phenyl]acetate?
The IUPAC name of methyl 2-[2-[[(2,3-dimethylcyclopentyl)amino]methyl]phenyl]acetate (CID 115462069) is methyl 2-[2-[[(2,3-dimethylcyclopentyl)amino]methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[[(2,3-dimethylcyclopentyl)amino]methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[[(2,3-dimethylcyclopentyl)amino]methyl]phenyl]acetate is COC(=O)Cc1ccccc1CNC1CCC(C)C1C.
What is the InChIKey of methyl 2-[2-[[(2,3-dimethylcyclopentyl)amino]methyl]phenyl]acetate?
The InChIKey is IPXIMMOMXXLWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12-8-9-16(13(12)2)18-11-15-7-5-4-6-14(15)10-17(19)20-3/h4-7,12-13,16,18H,8-11H2,1-3H3.
What are the key properties of methyl 2-[2-[[(2,3-dimethylcyclopentyl)amino]methyl]phenyl]acetate?
methyl 2-[2-[[(2,3-dimethylcyclopentyl)amino]methyl]phenyl]acetate has a molecular weight of 275.39 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[(2,3-dimethylcyclopentyl)amino]methyl]phenyl]acetate is sourced from PubChem (CID 115462069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).