methyl 2-[2-[[[(1R)-1-cyclohexylethyl]amino]methyl]phenyl]acetate

C18H27NO2 — CID 115462242

IUPACmethyl 2-[2-[[[(1R)-1-cyclohexylethyl]amino]methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CN[C@H](C)C1CCCCC1
InChIInChI=1S/C18H27NO2/c1-14(15-8-4-3-5-9-15)19-13-17-11-7-6-10-16(17)12-18(20)21-2/h6-7,10-11,14-15,19H,3-5,8-9,12-13H2,1-2H3/t14-/m1/s1
InChIKeyYGWGPOOZCWKCNN-CQSZACIVSA-N
MW289.42 g/mol
LogP3.46
Rot. Bonds6

About methyl 2-[2-[[[(1R)-1-cyclohexylethyl]amino]methyl]phenyl]acetate

methyl 2-[2-[[[(1R)-1-cyclohexylethyl]amino]methyl]phenyl]acetate (PubChem CID 115462242) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is methyl 2-[2-[[[(1R)-1-cyclohexylethyl]amino]methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[[[(1R)-1-cyclohexylethyl]amino]methyl]phenyl]acetate
PubChem CID115462242
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Namemethyl 2-[2-[[[(1R)-1-cyclohexylethyl]amino]methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CN[C@H](C)C1CCCCC1
InChIInChI=1S/C18H27NO2/c1-14(15-8-4-3-5-9-15)19-13-17-11-7-6-10-16(17)12-18(20)21-2/h6-7,10-11,14-15,19H,3-5,8-9,12-13H2,1-2H3/t14-/m1/s1
InChIKeyYGWGPOOZCWKCNN-CQSZACIVSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-[(1-cyclopropylethylamino)methyl]phenyl]acetate
CID 115461620
methyl 2-[[[(1S)-1-cyclohexylethyl]amino]methyl]benzoate
CID 81386969
methyl 2-[2-[(cycloheptylamino)methyl]phenyl]acetate
CID 115461578
(1R)-1-cyclopentyl-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 81395717
2-[[[(1S)-1-cyclopentylethyl]amino]methyl]phenol
CID 81386738
methyl 2-[5-[[[(1S)-1-cyclopentylethyl]amino]methyl]thiophen-2-yl]acetate
CID 82888205
N-[2-[[[(1R)-1-cyclopentylethyl]amino]methyl]phenyl]acetamide
CID 81394935
N-[(2-bromophenyl)methyl]-1-cyclohexylethanamine
CID 63453704
methyl 2-[2-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]phenyl]acetate
CID 115461745
2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-6-methoxyphenol
CID 81389459
1-cyclohexyl-N-(naphthalen-1-ylmethyl)ethanamine
CID 63477824
(1R)-1-cyclopentyl-N-[(2-fluorophenyl)methyl]ethanamine
CID 81394013

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[[(1R)-1-cyclohexylethyl]amino]methyl]phenyl]acetate?
The IUPAC name of methyl 2-[2-[[[(1R)-1-cyclohexylethyl]amino]methyl]phenyl]acetate (CID 115462242) is methyl 2-[2-[[[(1R)-1-cyclohexylethyl]amino]methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[[[(1R)-1-cyclohexylethyl]amino]methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[[[(1R)-1-cyclohexylethyl]amino]methyl]phenyl]acetate is COC(=O)Cc1ccccc1CN[C@H](C)C1CCCCC1.
What is the InChIKey of methyl 2-[2-[[[(1R)-1-cyclohexylethyl]amino]methyl]phenyl]acetate?
The InChIKey is YGWGPOOZCWKCNN-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27NO2/c1-14(15-8-4-3-5-9-15)19-13-17-11-7-6-10-16(17)12-18(20)21-2/h6-7,10-11,14-15,19H,3-5,8-9,12-13H2,1-2H3/t14-/m1/s1.
What are the key properties of methyl 2-[2-[[[(1R)-1-cyclohexylethyl]amino]methyl]phenyl]acetate?
methyl 2-[2-[[[(1R)-1-cyclohexylethyl]amino]methyl]phenyl]acetate has a molecular weight of 289.42 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[[(1R)-1-cyclohexylethyl]amino]methyl]phenyl]acetate is sourced from PubChem (CID 115462242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).