4-[4-[2-(dimethylamino)ethoxy]anilino]cyclohexan-1-ol

C16H26N2O2 — CID 82539341

IUPAC4-[4-[2-(dimethylamino)ethoxy]anilino]cyclohexan-1-ol
SMILESCN(C)CCOc1ccc(NC2CCC(O)CC2)cc1
InChIInChI=1S/C16H26N2O2/c1-18(2)11-12-20-16-9-5-14(6-10-16)17-13-3-7-15(19)8-4-13/h5-6,9-10,13,15,17,19H,3-4,7-8,11-12H2,1-2H3
InChIKeyUQXBFNNXFVPFBX-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.34
Rot. Bonds6

About 4-[4-[2-(dimethylamino)ethoxy]anilino]cyclohexan-1-ol

4-[4-[2-(dimethylamino)ethoxy]anilino]cyclohexan-1-ol (PubChem CID 82539341) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-[4-[2-(dimethylamino)ethoxy]anilino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-[2-(dimethylamino)ethoxy]anilino]cyclohexan-1-ol
PubChem CID82539341
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-[4-[2-(dimethylamino)ethoxy]anilino]cyclohexan-1-ol
SMILESCN(C)CCOc1ccc(NC2CCC(O)CC2)cc1
InChIInChI=1S/C16H26N2O2/c1-18(2)11-12-20-16-9-5-14(6-10-16)17-13-3-7-15(19)8-4-13/h5-6,9-10,13,15,17,19H,3-4,7-8,11-12H2,1-2H3
InChIKeyUQXBFNNXFVPFBX-UHFFFAOYSA-N
XLogP2.34
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1,4-diamine
CID 79731299
4-(4-propoxyanilino)cyclohexan-1-ol
CID 106594574
N-[4-[2-(dimethylamino)ethoxy]phenyl]thian-4-amine
CID 54863930
4-[4-(2-methoxyethoxy)anilino]cyclohexan-1-ol
CID 106594080
4-[2-(dimethylamino)ethoxy]-N-(3-methylcyclobutyl)aniline
CID 104860156
4-[2-(dimethylamino)ethoxy]-N-(3-ethylcyclopentyl)aniline
CID 64502151
4-[[7-[2-(dimethylamino)ethoxy]quinazolin-2-yl]amino]cyclohexan-1-ol
CID 58082320
4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclohexyl)aniline
CID 60943035
4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclopentyl)aniline
CID 65046094
3-(cyclopropylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 60928327
4-N-(4-ethoxyphenyl)-1-N-methylcyclohexane-1,4-diamine
CID 117027472
2-cyclopropyl-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-ethoxypropanamide
CID 133246885

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(dimethylamino)ethoxy]anilino]cyclohexan-1-ol?
The IUPAC name of 4-[4-[2-(dimethylamino)ethoxy]anilino]cyclohexan-1-ol (CID 82539341) is 4-[4-[2-(dimethylamino)ethoxy]anilino]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-[2-(dimethylamino)ethoxy]anilino]cyclohexan-1-ol?
The canonical SMILES for 4-[4-[2-(dimethylamino)ethoxy]anilino]cyclohexan-1-ol is CN(C)CCOc1ccc(NC2CCC(O)CC2)cc1.
What is the InChIKey of 4-[4-[2-(dimethylamino)ethoxy]anilino]cyclohexan-1-ol?
The InChIKey is UQXBFNNXFVPFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-18(2)11-12-20-16-9-5-14(6-10-16)17-13-3-7-15(19)8-4-13/h5-6,9-10,13,15,17,19H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of 4-[4-[2-(dimethylamino)ethoxy]anilino]cyclohexan-1-ol?
4-[4-[2-(dimethylamino)ethoxy]anilino]cyclohexan-1-ol has a molecular weight of 278.40 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(dimethylamino)ethoxy]anilino]cyclohexan-1-ol is sourced from PubChem (CID 82539341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).