2-[4-(ethylaminomethyl)-N,2-dimethylanilino]cyclohexan-1-ol

C17H28N2O — CID 102633008

IUPAC2-[4-(ethylaminomethyl)-N,2-dimethylanilino]cyclohexan-1-ol
SMILESCCNCc1ccc(N(C)C2CCCCC2O)c(C)c1
InChIInChI=1S/C17H28N2O/c1-4-18-12-14-9-10-15(13(2)11-14)19(3)16-7-5-6-8-17(16)20/h9-11,16-18,20H,4-8,12H2,1-3H3
InChIKeyCGYHNULQQJOTQE-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.84
Rot. Bonds5

About 2-[4-(ethylaminomethyl)-N,2-dimethylanilino]cyclohexan-1-ol

2-[4-(ethylaminomethyl)-N,2-dimethylanilino]cyclohexan-1-ol (PubChem CID 102633008) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[4-(ethylaminomethyl)-N,2-dimethylanilino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-(ethylaminomethyl)-N,2-dimethylanilino]cyclohexan-1-ol
PubChem CID102633008
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[4-(ethylaminomethyl)-N,2-dimethylanilino]cyclohexan-1-ol
SMILESCCNCc1ccc(N(C)C2CCCCC2O)c(C)c1
InChIInChI=1S/C17H28N2O/c1-4-18-12-14-9-10-15(13(2)11-14)19(3)16-7-5-6-8-17(16)20/h9-11,16-18,20H,4-8,12H2,1-3H3
InChIKeyCGYHNULQQJOTQE-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylaminomethyl)-N,2-dimethylanilino]cyclohexan-1-ol?
The IUPAC name of 2-[4-(ethylaminomethyl)-N,2-dimethylanilino]cyclohexan-1-ol (CID 102633008) is 2-[4-(ethylaminomethyl)-N,2-dimethylanilino]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-(ethylaminomethyl)-N,2-dimethylanilino]cyclohexan-1-ol?
The canonical SMILES for 2-[4-(ethylaminomethyl)-N,2-dimethylanilino]cyclohexan-1-ol is CCNCc1ccc(N(C)C2CCCCC2O)c(C)c1.
What is the InChIKey of 2-[4-(ethylaminomethyl)-N,2-dimethylanilino]cyclohexan-1-ol?
The InChIKey is CGYHNULQQJOTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-18-12-14-9-10-15(13(2)11-14)19(3)16-7-5-6-8-17(16)20/h9-11,16-18,20H,4-8,12H2,1-3H3.
What are the key properties of 2-[4-(ethylaminomethyl)-N,2-dimethylanilino]cyclohexan-1-ol?
2-[4-(ethylaminomethyl)-N,2-dimethylanilino]cyclohexan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylaminomethyl)-N,2-dimethylanilino]cyclohexan-1-ol is sourced from PubChem (CID 102633008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).