2-chloro-4-[(2-ethoxyphenyl)methylamino]phenol

C15H16ClNO2 — CID 107678736

IUPAC2-chloro-4-[(2-ethoxyphenyl)methylamino]phenol
SMILESCCOc1ccccc1CNc1ccc(O)c(Cl)c1
InChIInChI=1S/C15H16ClNO2/c1-2-19-15-6-4-3-5-11(15)10-17-12-7-8-14(18)13(16)9-12/h3-9,17-18H,2,10H2,1H3
InChIKeyPNABZQRAJWCPPY-UHFFFAOYSA-N
MW277.75 g/mol
LogP4.06
Rot. Bonds5

About 2-chloro-4-[(2-ethoxyphenyl)methylamino]phenol

2-chloro-4-[(2-ethoxyphenyl)methylamino]phenol (PubChem CID 107678736) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-chloro-4-[(2-ethoxyphenyl)methylamino]phenol.

Molecular Properties

Compound Name2-chloro-4-[(2-ethoxyphenyl)methylamino]phenol
PubChem CID107678736
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name2-chloro-4-[(2-ethoxyphenyl)methylamino]phenol
SMILESCCOc1ccccc1CNc1ccc(O)c(Cl)c1
InChIInChI=1S/C15H16ClNO2/c1-2-19-15-6-4-3-5-11(15)10-17-12-7-8-14(18)13(16)9-12/h3-9,17-18H,2,10H2,1H3
InChIKeyPNABZQRAJWCPPY-UHFFFAOYSA-N
XLogP4.06
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[(2-methoxyphenyl)methylamino]phenol
CID 107678386
4-chloro-N-[(2-ethoxyphenyl)methyl]aniline
CID 900682
2-[(3-chloro-4-ethoxyanilino)methyl]-6-fluorophenol
CID 115951574
4-bromo-N-[(2-ethoxyphenyl)methyl]-3-methylaniline
CID 28546731
2-[(3,5-dichloro-4-fluoroanilino)methyl]-6-ethoxyphenol
CID 107572598
N-[(2-ethoxyphenyl)methyl]-3-fluoroaniline
CID 23793082
2-[(3,4-dichloroanilino)methyl]phenol
CID 5078127
N-[(2-ethoxyphenyl)methyl]-3-propoxyaniline
CID 43693650
1-N-[(2-ethoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 78913927
methyl 3-[(2-ethoxyphenyl)methylamino]benzoate
CID 43217510
3-chloro-N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-methoxyaniline
CID 66542482
N-[(2-ethoxyphenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43231044

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2-ethoxyphenyl)methylamino]phenol?
The IUPAC name of 2-chloro-4-[(2-ethoxyphenyl)methylamino]phenol (CID 107678736) is 2-chloro-4-[(2-ethoxyphenyl)methylamino]phenol.
What is the SMILES notation for 2-chloro-4-[(2-ethoxyphenyl)methylamino]phenol?
The canonical SMILES for 2-chloro-4-[(2-ethoxyphenyl)methylamino]phenol is CCOc1ccccc1CNc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[(2-ethoxyphenyl)methylamino]phenol?
The InChIKey is PNABZQRAJWCPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-2-19-15-6-4-3-5-11(15)10-17-12-7-8-14(18)13(16)9-12/h3-9,17-18H,2,10H2,1H3.
What are the key properties of 2-chloro-4-[(2-ethoxyphenyl)methylamino]phenol?
2-chloro-4-[(2-ethoxyphenyl)methylamino]phenol has a molecular weight of 277.75 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2-ethoxyphenyl)methylamino]phenol is sourced from PubChem (CID 107678736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).