ethyl 1-(cyclopropylamino)-2-phenylcyclohexane-1-carboxylate

C18H25NO2 — CID 105401878

IUPACethyl 1-(cyclopropylamino)-2-phenylcyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC2CC2)CCCCC1c1ccccc1
InChIInChI=1S/C18H25NO2/c1-2-21-17(20)18(19-15-11-12-15)13-7-6-10-16(18)14-8-4-3-5-9-14/h3-5,8-9,15-16,19H,2,6-7,10-13H2,1H3
InChIKeyCIQXSQUTXDZKSU-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.40
Rot. Bonds5

About ethyl 1-(cyclopropylamino)-2-phenylcyclohexane-1-carboxylate

ethyl 1-(cyclopropylamino)-2-phenylcyclohexane-1-carboxylate (PubChem CID 105401878) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is ethyl 1-(cyclopropylamino)-2-phenylcyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(cyclopropylamino)-2-phenylcyclohexane-1-carboxylate
PubChem CID105401878
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Nameethyl 1-(cyclopropylamino)-2-phenylcyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC2CC2)CCCCC1c1ccccc1
InChIInChI=1S/C18H25NO2/c1-2-21-17(20)18(19-15-11-12-15)13-7-6-10-16(18)14-8-4-3-5-9-14/h3-5,8-9,15-16,19H,2,6-7,10-13H2,1H3
InChIKeyCIQXSQUTXDZKSU-UHFFFAOYSA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-phenyl-1-(propylamino)cyclohexane-1-carboxylate
CID 105401874
1-(cyclopropylamino)-2-phenylcyclohexane-1-carboxamide
CID 105401815
ethyl 2-phenyl-1-propylcyclohexane-1-carboxylate
CID 70449516
ethyl 1-(cyclopropylamino)-2-methylcyclopentane-1-carboxylate
CID 65045290
methyl 1-(cyclopropylmethylamino)-2-phenylcyclohexane-1-carboxylate
CID 105401936
ethyl 1-amino-2-phenylcyclobutane-1-carboxylate
CID 135039689
trans-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate
CID 102520538
ethyl 1-(2-chloroanilino)-2-methoxycyclohexane-1-carboxylate
CID 106872999
cis-ethyl (1R,2R)-1-chloro-2-phenylcyclopropane-1-carboxylate
CID 25137557
ethyl 1-(cyclopentylamino)cyclooctane-1-carboxylate
CID 54892627
ethyl 2-(methylamino)-1-phenylcyclohexane-1-carboxylate
CID 91750699
cis-(1S,2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclohexane-1-carboxylic acid
CID 101367353

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(cyclopropylamino)-2-phenylcyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-(cyclopropylamino)-2-phenylcyclohexane-1-carboxylate (CID 105401878) is ethyl 1-(cyclopropylamino)-2-phenylcyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-(cyclopropylamino)-2-phenylcyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-(cyclopropylamino)-2-phenylcyclohexane-1-carboxylate is CCOC(=O)C1(NC2CC2)CCCCC1c1ccccc1.
What is the InChIKey of ethyl 1-(cyclopropylamino)-2-phenylcyclohexane-1-carboxylate?
The InChIKey is CIQXSQUTXDZKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-2-21-17(20)18(19-15-11-12-15)13-7-6-10-16(18)14-8-4-3-5-9-14/h3-5,8-9,15-16,19H,2,6-7,10-13H2,1H3.
What are the key properties of ethyl 1-(cyclopropylamino)-2-phenylcyclohexane-1-carboxylate?
ethyl 1-(cyclopropylamino)-2-phenylcyclohexane-1-carboxylate has a molecular weight of 287.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(cyclopropylamino)-2-phenylcyclohexane-1-carboxylate is sourced from PubChem (CID 105401878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).