2-phenoxyethyl 2-aminocyclohexane-1-carboxylate

C15H21NO3 — CID 64818428

IUPAC2-phenoxyethyl 2-aminocyclohexane-1-carboxylate
SMILESNC1CCCCC1C(=O)OCCOc1ccccc1
InChIInChI=1S/C15H21NO3/c16-14-9-5-4-8-13(14)15(17)19-11-10-18-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11,16H2
InChIKeyJELIPACHDZMACH-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.13
Rot. Bonds5

About 2-phenoxyethyl 2-aminocyclohexane-1-carboxylate

2-phenoxyethyl 2-aminocyclohexane-1-carboxylate (PubChem CID 64818428) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-phenoxyethyl 2-aminocyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-phenoxyethyl 2-aminocyclohexane-1-carboxylate
PubChem CID64818428
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-phenoxyethyl 2-aminocyclohexane-1-carboxylate
SMILESNC1CCCCC1C(=O)OCCOc1ccccc1
InChIInChI=1S/C15H21NO3/c16-14-9-5-4-8-13(14)15(17)19-11-10-18-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11,16H2
InChIKeyJELIPACHDZMACH-UHFFFAOYSA-N
XLogP2.13
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 154604117
cis-(1R,2S)-2-amino-N-(2-phenoxyethyl)cyclohexane-1-carboxamide
CID 69204145
bis(2-phenoxyethyl) cyclohexane-1,4-dicarboxylate
CID 71382770
cis-benzyl (1S,2R)-2-aminocyclopentane-1-carboxylate;hydrochloride
CID 163396077
2-phenoxyethyl (2R)-piperidine-2-carboxylate
CID 79034822
2-amino-N-methyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 64824766
2-phenoxyethyl pyrrolidine-2-carboxylate
CID 61302272
trans-9H-fluoren-9-ylmethyl (1R,2R)-2-aminocyclohexane-1-carboxylate
CID 140639603
2-phenoxyethyl 1-methylpiperidine-4-carboxylate
CID 121413233
bis(5-phenylpentyl) cyclohexane-1,2-dicarboxylate
CID 174219135
(2-aminocyclohexyl)-(4-propoxyphenyl)methanone
CID 116579889
thiophen-2-ylmethyl 2-aminocyclohexane-1-carboxylate
CID 64816874

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethyl 2-aminocyclohexane-1-carboxylate?
The IUPAC name of 2-phenoxyethyl 2-aminocyclohexane-1-carboxylate (CID 64818428) is 2-phenoxyethyl 2-aminocyclohexane-1-carboxylate.
What is the SMILES notation for 2-phenoxyethyl 2-aminocyclohexane-1-carboxylate?
The canonical SMILES for 2-phenoxyethyl 2-aminocyclohexane-1-carboxylate is NC1CCCCC1C(=O)OCCOc1ccccc1.
What is the InChIKey of 2-phenoxyethyl 2-aminocyclohexane-1-carboxylate?
The InChIKey is JELIPACHDZMACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c16-14-9-5-4-8-13(14)15(17)19-11-10-18-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11,16H2.
What are the key properties of 2-phenoxyethyl 2-aminocyclohexane-1-carboxylate?
2-phenoxyethyl 2-aminocyclohexane-1-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl 2-aminocyclohexane-1-carboxylate is sourced from PubChem (CID 64818428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).