4-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]ethyl]-2-methoxyphenol

C15H26N2O2 — CID 79647398

IUPAC4-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)N(C)CC(C)(C)CN)ccc1O
InChIInChI=1S/C15H26N2O2/c1-11(17(4)10-15(2,3)9-16)12-6-7-13(18)14(8-12)19-5/h6-8,11,18H,9-10,16H2,1-5H3
InChIKeyGKNPDIGYPSBNHJ-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.38
Rot. Bonds6

About 4-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]ethyl]-2-methoxyphenol

4-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]ethyl]-2-methoxyphenol (PubChem CID 79647398) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]ethyl]-2-methoxyphenol
PubChem CID79647398
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name4-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)N(C)CC(C)(C)CN)ccc1O
InChIInChI=1S/C15H26N2O2/c1-11(17(4)10-15(2,3)9-16)12-6-7-13(18)14(8-12)19-5/h6-8,11,18H,9-10,16H2,1-5H3
InChIKeyGKNPDIGYPSBNHJ-UHFFFAOYSA-N
XLogP2.38
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[bis(2-methylpropyl)amino]ethyl]-2-methoxyphenol
CID 82981648
4-[1-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-methoxyphenol
CID 82981884
4-[(1S)-1-amino-2-methylpropyl]-2-methoxyphenol
CID 55254286
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride
CID 171222672
4-[2-(tert-butylamino)-1-hydroxyethyl]-2-methoxyphenol
CID 58461759
2-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]ethyl]-4-methylphenol
CID 79645093
4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride
CID 171203078
N-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]acetamide
CID 82978392
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 62682391
4-[(1S)-1-aminoethyl]-2-methoxyphenol;hydrochloride
CID 171222640
2-methoxy-4-[1-(4-methoxy-N-methylanilino)ethyl]phenol
CID 82957710

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]ethyl]-2-methoxyphenol?
The IUPAC name of 4-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]ethyl]-2-methoxyphenol (CID 79647398) is 4-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]ethyl]-2-methoxyphenol is COc1cc(C(C)N(C)CC(C)(C)CN)ccc1O.
What is the InChIKey of 4-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]ethyl]-2-methoxyphenol?
The InChIKey is GKNPDIGYPSBNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-11(17(4)10-15(2,3)9-16)12-6-7-13(18)14(8-12)19-5/h6-8,11,18H,9-10,16H2,1-5H3.
What are the key properties of 4-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]ethyl]-2-methoxyphenol?
4-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]ethyl]-2-methoxyphenol has a molecular weight of 266.38 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]ethyl]-2-methoxyphenol is sourced from PubChem (CID 79647398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).