2-[4-chloro-N-cyclohexyl-2-(ethylaminomethyl)anilino]ethanol

C17H27ClN2O — CID 114849856

IUPAC2-[4-chloro-N-cyclohexyl-2-(ethylaminomethyl)anilino]ethanol
SMILESCCNCc1cc(Cl)ccc1N(CCO)C1CCCCC1
InChIInChI=1S/C17H27ClN2O/c1-2-19-13-14-12-15(18)8-9-17(14)20(10-11-21)16-6-4-3-5-7-16/h8-9,12,16,19,21H,2-7,10-11,13H2,1H3
InChIKeyYAZZDUHISDCZMO-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.58
Rot. Bonds7

About 2-[4-chloro-N-cyclohexyl-2-(ethylaminomethyl)anilino]ethanol

2-[4-chloro-N-cyclohexyl-2-(ethylaminomethyl)anilino]ethanol (PubChem CID 114849856) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 2-[4-chloro-N-cyclohexyl-2-(ethylaminomethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-chloro-N-cyclohexyl-2-(ethylaminomethyl)anilino]ethanol
PubChem CID114849856
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name2-[4-chloro-N-cyclohexyl-2-(ethylaminomethyl)anilino]ethanol
SMILESCCNCc1cc(Cl)ccc1N(CCO)C1CCCCC1
InChIInChI=1S/C17H27ClN2O/c1-2-19-13-14-12-15(18)8-9-17(14)20(10-11-21)16-6-4-3-5-7-16/h8-9,12,16,19,21H,2-7,10-11,13H2,1H3
InChIKeyYAZZDUHISDCZMO-UHFFFAOYSA-N
XLogP3.58
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-bromo-N-cyclobutyl-2-(ethylaminomethyl)anilino]ethanol
CID 102864917
4-chloro-N-cyclohexyl-N-methyl-2-(propylaminomethyl)aniline
CID 114847451
2-[N-cyclobutyl-4-methyl-2-(methylaminomethyl)anilino]ethanol
CID 114055126
2-[N-cyclopropyl-4-fluoro-2-(propylaminomethyl)anilino]ethanol
CID 54994918
4-chloro-2-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]phenol
CID 60981639
4-chloro-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline
CID 114849913
2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]ethanol
CID 114848634
4-chloro-2-(ethylaminomethyl)-N,N-dipropylaniline
CID 114847374
4-chloro-2-(ethylaminomethyl)-N-methyl-N-propylaniline
CID 114848022
2-chloro-N-cyclohexyl-N-ethyl-4-(ethylaminomethyl)aniline
CID 81148757
3-chloro-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde
CID 81145443
2-[4-[(1R)-1-aminoethyl]-2-chloro-N-cyclopentylanilino]ethanol
CID 63368770

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-N-cyclohexyl-2-(ethylaminomethyl)anilino]ethanol?
The IUPAC name of 2-[4-chloro-N-cyclohexyl-2-(ethylaminomethyl)anilino]ethanol (CID 114849856) is 2-[4-chloro-N-cyclohexyl-2-(ethylaminomethyl)anilino]ethanol.
What is the SMILES notation for 2-[4-chloro-N-cyclohexyl-2-(ethylaminomethyl)anilino]ethanol?
The canonical SMILES for 2-[4-chloro-N-cyclohexyl-2-(ethylaminomethyl)anilino]ethanol is CCNCc1cc(Cl)ccc1N(CCO)C1CCCCC1.
What is the InChIKey of 2-[4-chloro-N-cyclohexyl-2-(ethylaminomethyl)anilino]ethanol?
The InChIKey is YAZZDUHISDCZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-2-19-13-14-12-15(18)8-9-17(14)20(10-11-21)16-6-4-3-5-7-16/h8-9,12,16,19,21H,2-7,10-11,13H2,1H3.
What are the key properties of 2-[4-chloro-N-cyclohexyl-2-(ethylaminomethyl)anilino]ethanol?
2-[4-chloro-N-cyclohexyl-2-(ethylaminomethyl)anilino]ethanol has a molecular weight of 310.87 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-N-cyclohexyl-2-(ethylaminomethyl)anilino]ethanol is sourced from PubChem (CID 114849856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).