4-chloro-2-(ethylamino)phenol

C8H10ClNO — CID 15847212

IUPAC4-chloro-2-(ethylamino)phenol
SMILESCCNc1cc(Cl)ccc1O
InChIInChI=1S/C8H10ClNO/c1-2-10-7-5-6(9)3-4-8(7)11/h3-5,10-11H,2H2,1H3
InChIKeyXMSVESAVDMSBGU-UHFFFAOYSA-N
MW171.63 g/mol
LogP2.48
Rot. Bonds2

About 4-chloro-2-(ethylamino)phenol

4-chloro-2-(ethylamino)phenol (PubChem CID 15847212) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 4-chloro-2-(ethylamino)phenol.

Molecular Properties

Compound Name4-chloro-2-(ethylamino)phenol
PubChem CID15847212
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name4-chloro-2-(ethylamino)phenol
SMILESCCNc1cc(Cl)ccc1O
InChIInChI=1S/C8H10ClNO/c1-2-10-7-5-6(9)3-4-8(7)11/h3-5,10-11H,2H2,1H3
InChIKeyXMSVESAVDMSBGU-UHFFFAOYSA-N
XLogP2.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-N,2-N-diethylbenzene-1,2-diamine
CID 68788018
4-chloro-2-(ethoxyamino)phenol
CID 57300907
4-chloro-2-[[(2S)-3-chloro-2-hydroxypropyl]amino]phenol
CID 142586628
1-[4-chloro-2-(ethylamino)phenyl]propan-1-one
CID 23619743
N-(5-chloro-2-hydroxyphenyl)propane-1-sulfonamide
CID 43114648
4-chloro-1-N-ethyl-2-N-methoxybenzene-1,2-diamine
CID 171534963
4-chloro-2-(ethylamino)benzenecarboximidamide
CID 63094553
4-chloro-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]phenol
CID 126847001
5-chloro-N-ethyl-2-phenylaniline
CID 156564170
5-chloro-N-ethyl-2-propan-2-ylsulfanylaniline
CID 82264840
ethyl 4-(5-chloro-2-hydroxyanilino)but-2-enoate
CID 91051560
N-(5-chloro-2-hydroxyphenyl)methanethioamide
CID 145012471

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(ethylamino)phenol?
The IUPAC name of 4-chloro-2-(ethylamino)phenol (CID 15847212) is 4-chloro-2-(ethylamino)phenol.
What is the SMILES notation for 4-chloro-2-(ethylamino)phenol?
The canonical SMILES for 4-chloro-2-(ethylamino)phenol is CCNc1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-(ethylamino)phenol?
The InChIKey is XMSVESAVDMSBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c1-2-10-7-5-6(9)3-4-8(7)11/h3-5,10-11H,2H2,1H3.
What are the key properties of 4-chloro-2-(ethylamino)phenol?
4-chloro-2-(ethylamino)phenol has a molecular weight of 171.63 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(ethylamino)phenol is sourced from PubChem (CID 15847212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).