4-[(4-aminophenoxy)methylamino]-2-chloro-6-methylphenol

C14H15ClN2O2 — CID 91441346

IUPAC4-[(4-aminophenoxy)methylamino]-2-chloro-6-methylphenol
SMILESCc1cc(NCOc2ccc(N)cc2)cc(Cl)c1O
InChIInChI=1S/C14H15ClN2O2/c1-9-6-11(7-13(15)14(9)18)17-8-19-12-4-2-10(16)3-5-12/h2-7,17-18H,8,16H2,1H3
InChIKeyOUGAWFWWQUWWPU-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.38
Rot. Bonds4

About 4-[(4-aminophenoxy)methylamino]-2-chloro-6-methylphenol

4-[(4-aminophenoxy)methylamino]-2-chloro-6-methylphenol (PubChem CID 91441346) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-[(4-aminophenoxy)methylamino]-2-chloro-6-methylphenol.

Molecular Properties

Compound Name4-[(4-aminophenoxy)methylamino]-2-chloro-6-methylphenol
PubChem CID91441346
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name4-[(4-aminophenoxy)methylamino]-2-chloro-6-methylphenol
SMILESCc1cc(NCOc2ccc(N)cc2)cc(Cl)c1O
InChIInChI=1S/C14H15ClN2O2/c1-9-6-11(7-13(15)14(9)18)17-8-19-12-4-2-10(16)3-5-12/h2-7,17-18H,8,16H2,1H3
InChIKeyOUGAWFWWQUWWPU-UHFFFAOYSA-N
XLogP3.38
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminophenoxy)methylamino]-2-chloro-6-methylphenol?
The IUPAC name of 4-[(4-aminophenoxy)methylamino]-2-chloro-6-methylphenol (CID 91441346) is 4-[(4-aminophenoxy)methylamino]-2-chloro-6-methylphenol.
What is the SMILES notation for 4-[(4-aminophenoxy)methylamino]-2-chloro-6-methylphenol?
The canonical SMILES for 4-[(4-aminophenoxy)methylamino]-2-chloro-6-methylphenol is Cc1cc(NCOc2ccc(N)cc2)cc(Cl)c1O.
What is the InChIKey of 4-[(4-aminophenoxy)methylamino]-2-chloro-6-methylphenol?
The InChIKey is OUGAWFWWQUWWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-9-6-11(7-13(15)14(9)18)17-8-19-12-4-2-10(16)3-5-12/h2-7,17-18H,8,16H2,1H3.
What are the key properties of 4-[(4-aminophenoxy)methylamino]-2-chloro-6-methylphenol?
4-[(4-aminophenoxy)methylamino]-2-chloro-6-methylphenol has a molecular weight of 278.74 g/mol, XLogP of 3.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminophenoxy)methylamino]-2-chloro-6-methylphenol is sourced from PubChem (CID 91441346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).