4-chloro-2-[1-(N-ethyl-3-methylanilino)ethyl]phenol

C17H20ClNO — CID 82982643

IUPAC4-chloro-2-[1-(N-ethyl-3-methylanilino)ethyl]phenol
SMILESCCN(c1cccc(C)c1)C(C)c1cc(Cl)ccc1O
InChIInChI=1S/C17H20ClNO/c1-4-19(15-7-5-6-12(2)10-15)13(3)16-11-14(18)8-9-17(16)20/h5-11,13,20H,4H2,1-3H3
InChIKeyLVMHKSXBNNVELN-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.94
Rot. Bonds4

About 4-chloro-2-[1-(N-ethyl-3-methylanilino)ethyl]phenol

4-chloro-2-[1-(N-ethyl-3-methylanilino)ethyl]phenol (PubChem CID 82982643) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 4-chloro-2-[1-(N-ethyl-3-methylanilino)ethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[1-(N-ethyl-3-methylanilino)ethyl]phenol
PubChem CID82982643
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name4-chloro-2-[1-(N-ethyl-3-methylanilino)ethyl]phenol
SMILESCCN(c1cccc(C)c1)C(C)c1cc(Cl)ccc1O
InChIInChI=1S/C17H20ClNO/c1-4-19(15-7-5-6-12(2)10-15)13(3)16-11-14(18)8-9-17(16)20/h5-11,13,20H,4H2,1-3H3
InChIKeyLVMHKSXBNNVELN-UHFFFAOYSA-N
XLogP4.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.94
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

2-[1-(N-ethyl-3-methylanilino)ethyl]-4-methylphenol
CID 82982263
2-[1-(N-ethyl-3-methylanilino)ethyl]phenol
CID 82981948
4-chloro-2-[1-(N,3,5-trimethylanilino)ethyl]phenol
CID 82978959
4-chloro-2-[1-[ethyl(propan-2-yl)amino]ethyl]phenol
CID 82976841
2-[1-(N,3-dimethylanilino)ethyl]-4-methylphenol
CID 82978827
2-[1-(N-ethyl-3-fluoroanilino)ethyl]phenol
CID 82981672
1-(N-ethyl-3-methylanilino)propan-1-ol
CID 21331015
(2,5-dichlorophenyl) 1-(N-ethyl-3-methylanilino)ethyl carbonate
CID 70631739
4-chloro-2-[1-[methyl(2-methylbutyl)amino]ethyl]phenol
CID 82977822
4-chloro-2-[1-[2-(dimethylamino)ethyl-methylamino]ethyl]phenol
CID 82981354
[5-chloro-2-(N-ethyl-3-methylanilino)phenyl]methanol
CID 114845295
N-[1-(N-ethyl-3-methylanilino)ethyl]methanesulfonamide
CID 101321416

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[1-(N-ethyl-3-methylanilino)ethyl]phenol?
The IUPAC name of 4-chloro-2-[1-(N-ethyl-3-methylanilino)ethyl]phenol (CID 82982643) is 4-chloro-2-[1-(N-ethyl-3-methylanilino)ethyl]phenol.
What is the SMILES notation for 4-chloro-2-[1-(N-ethyl-3-methylanilino)ethyl]phenol?
The canonical SMILES for 4-chloro-2-[1-(N-ethyl-3-methylanilino)ethyl]phenol is CCN(c1cccc(C)c1)C(C)c1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-[1-(N-ethyl-3-methylanilino)ethyl]phenol?
The InChIKey is LVMHKSXBNNVELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-4-19(15-7-5-6-12(2)10-15)13(3)16-11-14(18)8-9-17(16)20/h5-11,13,20H,4H2,1-3H3.
What are the key properties of 4-chloro-2-[1-(N-ethyl-3-methylanilino)ethyl]phenol?
4-chloro-2-[1-(N-ethyl-3-methylanilino)ethyl]phenol has a molecular weight of 289.81 g/mol, XLogP of 4.94, 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-(N-ethyl-3-methylanilino)ethyl]phenol is sourced from PubChem (CID 82982643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).