2-[2-[1-(ethylamino)ethyl]-N-methylanilino]cyclohexan-1-ol

C17H28N2O — CID 102632638

IUPAC2-[2-[1-(ethylamino)ethyl]-N-methylanilino]cyclohexan-1-ol
SMILESCCNC(C)c1ccccc1N(C)C1CCCCC1O
InChIInChI=1S/C17H28N2O/c1-4-18-13(2)14-9-5-6-10-15(14)19(3)16-11-7-8-12-17(16)20/h5-6,9-10,13,16-18,20H,4,7-8,11-12H2,1-3H3
InChIKeyVGHCPDLLGYNFAG-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.10
Rot. Bonds5

About 2-[2-[1-(ethylamino)ethyl]-N-methylanilino]cyclohexan-1-ol

2-[2-[1-(ethylamino)ethyl]-N-methylanilino]cyclohexan-1-ol (PubChem CID 102632638) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[2-[1-(ethylamino)ethyl]-N-methylanilino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[2-[1-(ethylamino)ethyl]-N-methylanilino]cyclohexan-1-ol
PubChem CID102632638
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[2-[1-(ethylamino)ethyl]-N-methylanilino]cyclohexan-1-ol
SMILESCCNC(C)c1ccccc1N(C)C1CCCCC1O
InChIInChI=1S/C17H28N2O/c1-4-18-13(2)14-9-5-6-10-15(14)19(3)16-11-7-8-12-17(16)20/h5-6,9-10,13,16-18,20H,4,7-8,11-12H2,1-3H3
InChIKeyVGHCPDLLGYNFAG-UHFFFAOYSA-N
XLogP3.10
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-methylcyclohexyl)-2-[1-(propylamino)ethyl]aniline
CID 63532695
N-cyclopentyl-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 43284594
N-ethyl-2-[1-(ethylamino)ethyl]-N-methylaniline
CID 43284520
N-methyl-N-[2-[1-(propylamino)ethyl]phenyl]cycloheptanamine
CID 43614164
N-cyclohexyl-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 43284184
N-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-N-methylaniline
CID 43569244
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-[1-(ethylamino)ethyl]-N-methylaniline
CID 105415203
2-[1-(ethylamino)ethyl]-5-[methyl-(2-methylcyclohexyl)amino]phenol
CID 79590748
N,2-dimethyl-N-[2-[1-(propylamino)ethyl]phenyl]oxolan-3-amine
CID 82739333
N-ethyl-2-[1-(ethylamino)ethyl]-N-phenylaniline
CID 43284278
4-[2-[1-(ethylamino)ethyl]-N-methylanilino]butan-2-ol
CID 113499650
trans-(1R,2R)-2-(N-methylanilino)cyclopentan-1-ol
CID 10631575

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(ethylamino)ethyl]-N-methylanilino]cyclohexan-1-ol?
The IUPAC name of 2-[2-[1-(ethylamino)ethyl]-N-methylanilino]cyclohexan-1-ol (CID 102632638) is 2-[2-[1-(ethylamino)ethyl]-N-methylanilino]cyclohexan-1-ol.
What is the SMILES notation for 2-[2-[1-(ethylamino)ethyl]-N-methylanilino]cyclohexan-1-ol?
The canonical SMILES for 2-[2-[1-(ethylamino)ethyl]-N-methylanilino]cyclohexan-1-ol is CCNC(C)c1ccccc1N(C)C1CCCCC1O.
What is the InChIKey of 2-[2-[1-(ethylamino)ethyl]-N-methylanilino]cyclohexan-1-ol?
The InChIKey is VGHCPDLLGYNFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-18-13(2)14-9-5-6-10-15(14)19(3)16-11-7-8-12-17(16)20/h5-6,9-10,13,16-18,20H,4,7-8,11-12H2,1-3H3.
What are the key properties of 2-[2-[1-(ethylamino)ethyl]-N-methylanilino]cyclohexan-1-ol?
2-[2-[1-(ethylamino)ethyl]-N-methylanilino]cyclohexan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(ethylamino)ethyl]-N-methylanilino]cyclohexan-1-ol is sourced from PubChem (CID 102632638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).