methyl 1-amino-2-(2-phenylethyl)cyclohexane-1-carboxylate

C16H23NO2 — CID 67920649

IUPACmethyl 1-amino-2-(2-phenylethyl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1(N)CCCCC1CCc1ccccc1
InChIInChI=1S/C16H23NO2/c1-19-15(18)16(17)12-6-5-9-14(16)11-10-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12,17H2,1H3
InChIKeyZUYADLBMHWBJQQ-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.68
Rot. Bonds4

About methyl 1-amino-2-(2-phenylethyl)cyclohexane-1-carboxylate

methyl 1-amino-2-(2-phenylethyl)cyclohexane-1-carboxylate (PubChem CID 67920649) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is methyl 1-amino-2-(2-phenylethyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-2-(2-phenylethyl)cyclohexane-1-carboxylate
PubChem CID67920649
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Namemethyl 1-amino-2-(2-phenylethyl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1(N)CCCCC1CCc1ccccc1
InChIInChI=1S/C16H23NO2/c1-19-15(18)16(17)12-6-5-9-14(16)11-10-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12,17H2,1H3
InChIKeyZUYADLBMHWBJQQ-UHFFFAOYSA-N
XLogP2.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-methyl (1R,2R)-1-amino-2-benzylcyclobutane-1-carboxylate
CID 129418563
methyl 1,2,2-trimethyl-3-(2-phenylethyl)cyclopentane-1-carboxylate
CID 2750766
methyl 1-amino-2-[2-(3-fluoro-N-methylanilino)ethyl]cyclopentane-1-carboxylate
CID 79572538
methyl 1-amino-2-(2-thiophen-2-ylsulfanylethyl)cyclopentane-1-carboxylate
CID 79587263
methyl 1-amino-2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxylate
CID 114791644
methyl 1-amino-2-[2-(3-methoxyphenyl)sulfanylethyl]cyclopentane-1-carboxylate
CID 79586985
methyl 1-amino-2-[2-(4-methoxyphenyl)sulfanylethyl]cyclopentane-1-carboxylate
CID 79588025
methyl 1-amino-2-methoxycyclohexane-1-carboxylate
CID 106872967
methyl 1-amino-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79571290
methyl 1-amino-2-[2-(3,4-difluorophenyl)sulfanylethyl]cyclopentane-1-carboxylate
CID 79587544
trans-methyl (1S,2R)-1-hydroxy-3-methylidene-2-(2-phenylethyl)cyclohexane-1-carboxylate
CID 135055071
1-amino-2-(2-phenoxyethyl)cyclopentane-1-carboxamide
CID 79586633

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-2-(2-phenylethyl)cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-amino-2-(2-phenylethyl)cyclohexane-1-carboxylate (CID 67920649) is methyl 1-amino-2-(2-phenylethyl)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-2-(2-phenylethyl)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-amino-2-(2-phenylethyl)cyclohexane-1-carboxylate is COC(=O)C1(N)CCCCC1CCc1ccccc1.
What is the InChIKey of methyl 1-amino-2-(2-phenylethyl)cyclohexane-1-carboxylate?
The InChIKey is ZUYADLBMHWBJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-19-15(18)16(17)12-6-5-9-14(16)11-10-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12,17H2,1H3.
What are the key properties of methyl 1-amino-2-(2-phenylethyl)cyclohexane-1-carboxylate?
methyl 1-amino-2-(2-phenylethyl)cyclohexane-1-carboxylate has a molecular weight of 261.36 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-2-(2-phenylethyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 67920649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).