4-[1-(2-aminoanilino)ethyl]-2-methoxyphenol

C15H18N2O2 — CID 163482577

IUPAC4-[1-(2-aminoanilino)ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)Nc2ccccc2N)ccc1O
InChIInChI=1S/C15H18N2O2/c1-10(17-13-6-4-3-5-12(13)16)11-7-8-14(18)15(9-11)19-2/h3-10,17-18H,16H2,1-2H3
InChIKeyCFVMRYVZRLGIOS-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.16
Rot. Bonds4

About 4-[1-(2-aminoanilino)ethyl]-2-methoxyphenol

4-[1-(2-aminoanilino)ethyl]-2-methoxyphenol (PubChem CID 163482577) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[1-(2-aminoanilino)ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[1-(2-aminoanilino)ethyl]-2-methoxyphenol
PubChem CID163482577
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-[1-(2-aminoanilino)ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)Nc2ccccc2N)ccc1O
InChIInChI=1S/C15H18N2O2/c1-10(17-13-6-4-3-5-12(13)16)11-7-8-14(18)15(9-11)19-2/h3-10,17-18H,16H2,1-2H3
InChIKeyCFVMRYVZRLGIOS-UHFFFAOYSA-N
XLogP3.16
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(2-iodoanilino)ethyl]-2-methoxyphenol
CID 43124744
4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,5-dimethylphenol
CID 106953620
2-methoxy-4-[1-(2-methoxy-5-methylanilino)ethyl]phenol
CID 43193429
3-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,6-dimethylphenol
CID 43741825
4-[1-(3,5-dimethylanilino)ethyl]-2-methoxyphenol
CID 43195420
4-[1-(4-fluoro-2-iodoanilino)ethyl]-2-methoxyphenol
CID 79768643
4-[1-[(4-chloro-3-pyridinyl)amino]ethyl]-2-methoxyphenol
CID 83166530
4-[1-(4-fluoroanilino)ethyl]-2-methoxyphenol
CID 43194672
4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-2-methoxyphenol
CID 102804235
2-methoxy-4-[1-(1-phenylpropylamino)ethyl]phenol
CID 62304525
2,6-dichloro-4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]phenol
CID 107679206
4-[1-(5-bromo-4-fluoro-2-methylanilino)ethyl]-2-methoxyphenol
CID 107591502

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-aminoanilino)ethyl]-2-methoxyphenol?
The IUPAC name of 4-[1-(2-aminoanilino)ethyl]-2-methoxyphenol (CID 163482577) is 4-[1-(2-aminoanilino)ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[1-(2-aminoanilino)ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[1-(2-aminoanilino)ethyl]-2-methoxyphenol is COc1cc(C(C)Nc2ccccc2N)ccc1O.
What is the InChIKey of 4-[1-(2-aminoanilino)ethyl]-2-methoxyphenol?
The InChIKey is CFVMRYVZRLGIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(17-13-6-4-3-5-12(13)16)11-7-8-14(18)15(9-11)19-2/h3-10,17-18H,16H2,1-2H3.
What are the key properties of 4-[1-(2-aminoanilino)ethyl]-2-methoxyphenol?
4-[1-(2-aminoanilino)ethyl]-2-methoxyphenol has a molecular weight of 258.32 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-aminoanilino)ethyl]-2-methoxyphenol is sourced from PubChem (CID 163482577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).