4-chloro-2-[1-[ethyl(propan-2-yl)amino]ethyl]phenol

C13H20ClNO — CID 82976841

IUPAC4-chloro-2-[1-[ethyl(propan-2-yl)amino]ethyl]phenol
SMILESCCN(C(C)C)C(C)c1cc(Cl)ccc1O
InChIInChI=1S/C13H20ClNO/c1-5-15(9(2)3)10(4)12-8-11(14)6-7-13(12)16/h6-10,16H,5H2,1-4H3
InChIKeyGFTTVFNASUMAOW-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.84
Rot. Bonds4

About 4-chloro-2-[1-[ethyl(propan-2-yl)amino]ethyl]phenol

4-chloro-2-[1-[ethyl(propan-2-yl)amino]ethyl]phenol (PubChem CID 82976841) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 4-chloro-2-[1-[ethyl(propan-2-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[1-[ethyl(propan-2-yl)amino]ethyl]phenol
PubChem CID82976841
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name4-chloro-2-[1-[ethyl(propan-2-yl)amino]ethyl]phenol
SMILESCCN(C(C)C)C(C)c1cc(Cl)ccc1O
InChIInChI=1S/C13H20ClNO/c1-5-15(9(2)3)10(4)12-8-11(14)6-7-13(12)16/h6-10,16H,5H2,1-4H3
InChIKeyGFTTVFNASUMAOW-UHFFFAOYSA-N
XLogP3.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[1-[methyl(2-methylbutyl)amino]ethyl]phenol
CID 82977822
4-chloro-2-[1-[2-(dimethylamino)ethyl-methylamino]ethyl]phenol
CID 82981354
4-chloro-2-[1-(N-ethyl-3-methylanilino)ethyl]phenol
CID 82982643
2-(1-aminopentyl)-4-chlorophenol
CID 155888158
4-chloro-2-[1-(N,3,5-trimethylanilino)ethyl]phenol
CID 82978959
2-(1-aminoethyl)-4-chlorophenol;hydrochloride
CID 146014077
4-chloro-2-[1-[methyl(oxan-4-yl)amino]ethyl]phenol
CID 82977582
4-methyl-2-[1-[2-methylpropyl(propan-2-yl)amino]ethyl]phenol
CID 82985809
3-[1-(5-chloro-2-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide
CID 105400824
4-chloro-2-[(1S)-1-(methylamino)ethyl]phenol
CID 94343743
3-(5-chloro-2-hydroxyphenyl)butanoic acid
CID 131360559
3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N,N-di(propan-2-yl)propanamide
CID 2958205

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[1-[ethyl(propan-2-yl)amino]ethyl]phenol?
The IUPAC name of 4-chloro-2-[1-[ethyl(propan-2-yl)amino]ethyl]phenol (CID 82976841) is 4-chloro-2-[1-[ethyl(propan-2-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-chloro-2-[1-[ethyl(propan-2-yl)amino]ethyl]phenol?
The canonical SMILES for 4-chloro-2-[1-[ethyl(propan-2-yl)amino]ethyl]phenol is CCN(C(C)C)C(C)c1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-[1-[ethyl(propan-2-yl)amino]ethyl]phenol?
The InChIKey is GFTTVFNASUMAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-5-15(9(2)3)10(4)12-8-11(14)6-7-13(12)16/h6-10,16H,5H2,1-4H3.
What are the key properties of 4-chloro-2-[1-[ethyl(propan-2-yl)amino]ethyl]phenol?
4-chloro-2-[1-[ethyl(propan-2-yl)amino]ethyl]phenol has a molecular weight of 241.76 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[1-[ethyl(propan-2-yl)amino]ethyl]phenol is sourced from PubChem (CID 82976841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).