2-chloro-4-[(2-ethylcyclohexyl)amino]phenol

C14H20ClNO — CID 107678378

IUPAC2-chloro-4-[(2-ethylcyclohexyl)amino]phenol
SMILESCCC1CCCCC1Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-2-10-5-3-4-6-13(10)16-11-7-8-14(17)12(15)9-11/h7-10,13,16-17H,2-6H2,1H3
InChIKeyUYDWLDXYYHTIIR-UHFFFAOYSA-N
MW253.77 g/mol
LogP4.43
Rot. Bonds3

About 2-chloro-4-[(2-ethylcyclohexyl)amino]phenol

2-chloro-4-[(2-ethylcyclohexyl)amino]phenol (PubChem CID 107678378) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-chloro-4-[(2-ethylcyclohexyl)amino]phenol.

Molecular Properties

Compound Name2-chloro-4-[(2-ethylcyclohexyl)amino]phenol
PubChem CID107678378
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-chloro-4-[(2-ethylcyclohexyl)amino]phenol
SMILESCCC1CCCCC1Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-2-10-5-3-4-6-13(10)16-11-7-8-14(17)12(15)9-11/h7-10,13,16-17H,2-6H2,1H3
InChIKeyUYDWLDXYYHTIIR-UHFFFAOYSA-N
XLogP4.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(2-ethylcyclohexyl)-4-methylaniline
CID 63862474
4-chloro-N-(2-ethylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63863027
2-chloro-4-[(2-methylcyclopentyl)amino]phenol
CID 107678036
3,5-dichloro-N-(2-ethylcyclohexyl)aniline
CID 55250831
N-(2-ethylcyclohexyl)-4-propan-2-ylaniline
CID 63862131
4-[(2-ethylcyclohexyl)amino]-2-methylbenzoic acid
CID 81281868
2,4-dichloro-N-(2-ethylcyclohexyl)aniline
CID 55256942
N-(2-ethylcyclohexyl)-3,5-dimethylaniline
CID 63863762
2-chloro-N-(2-ethylcyclohexyl)aniline
CID 63863576
N-(2-ethylcyclohexyl)pyridin-4-amine
CID 61469829
N-(2-ethylcyclopentyl)-4-methoxy-3-methylaniline
CID 113483426
ethyl 2-amino-5-[(2-ethylcyclohexyl)amino]benzoate
CID 63423479

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2-ethylcyclohexyl)amino]phenol?
The IUPAC name of 2-chloro-4-[(2-ethylcyclohexyl)amino]phenol (CID 107678378) is 2-chloro-4-[(2-ethylcyclohexyl)amino]phenol.
What is the SMILES notation for 2-chloro-4-[(2-ethylcyclohexyl)amino]phenol?
The canonical SMILES for 2-chloro-4-[(2-ethylcyclohexyl)amino]phenol is CCC1CCCCC1Nc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[(2-ethylcyclohexyl)amino]phenol?
The InChIKey is UYDWLDXYYHTIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-2-10-5-3-4-6-13(10)16-11-7-8-14(17)12(15)9-11/h7-10,13,16-17H,2-6H2,1H3.
What are the key properties of 2-chloro-4-[(2-ethylcyclohexyl)amino]phenol?
2-chloro-4-[(2-ethylcyclohexyl)amino]phenol has a molecular weight of 253.77 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2-ethylcyclohexyl)amino]phenol is sourced from PubChem (CID 107678378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).