4-[1-[[4-(dimethylamino)-3-pyridinyl]amino]ethyl]-2-methoxyphenol

C16H21N3O2 — CID 43678633

IUPAC4-[1-[[4-(dimethylamino)-3-pyridinyl]amino]ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)Nc2cnccc2N(C)C)ccc1O
InChIInChI=1S/C16H21N3O2/c1-11(12-5-6-15(20)16(9-12)21-4)18-13-10-17-8-7-14(13)19(2)3/h5-11,18,20H,1-4H3
InChIKeyZKOHLHWKYLOXNM-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.03
Rot. Bonds5

About 4-[1-[[4-(dimethylamino)-3-pyridinyl]amino]ethyl]-2-methoxyphenol

4-[1-[[4-(dimethylamino)-3-pyridinyl]amino]ethyl]-2-methoxyphenol (PubChem CID 43678633) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[1-[[4-(dimethylamino)-3-pyridinyl]amino]ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[1-[[4-(dimethylamino)-3-pyridinyl]amino]ethyl]-2-methoxyphenol
PubChem CID43678633
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-[1-[[4-(dimethylamino)-3-pyridinyl]amino]ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)Nc2cnccc2N(C)C)ccc1O
InChIInChI=1S/C16H21N3O2/c1-11(12-5-6-15(20)16(9-12)21-4)18-13-10-17-8-7-14(13)19(2)3/h5-11,18,20H,1-4H3
InChIKeyZKOHLHWKYLOXNM-UHFFFAOYSA-N
XLogP3.03
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[(4-chloro-3-pyridinyl)amino]ethyl]-2-methoxyphenol
CID 83166530
3-N-[1-(3,4-difluorophenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678568
3-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678639
4-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-3-amine
CID 83165925
4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,5-dimethylphenol
CID 106953620
2-methoxy-4-[1-(2-methoxy-5-methylanilino)ethyl]phenol
CID 43193429
4-[1-(2-aminoanilino)ethyl]-2-methoxyphenol
CID 163482577
4-[1-(2-iodoanilino)ethyl]-2-methoxyphenol
CID 43124744
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-methylpyridin-3-amine
CID 83075673
3-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,6-dimethylphenol
CID 43741825
4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-2-methoxyphenol
CID 102804235
4-[1-(3,5-dimethylanilino)ethyl]-2-methoxyphenol
CID 43195420

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[4-(dimethylamino)-3-pyridinyl]amino]ethyl]-2-methoxyphenol?
The IUPAC name of 4-[1-[[4-(dimethylamino)-3-pyridinyl]amino]ethyl]-2-methoxyphenol (CID 43678633) is 4-[1-[[4-(dimethylamino)-3-pyridinyl]amino]ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[1-[[4-(dimethylamino)-3-pyridinyl]amino]ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[1-[[4-(dimethylamino)-3-pyridinyl]amino]ethyl]-2-methoxyphenol is COc1cc(C(C)Nc2cnccc2N(C)C)ccc1O.
What is the InChIKey of 4-[1-[[4-(dimethylamino)-3-pyridinyl]amino]ethyl]-2-methoxyphenol?
The InChIKey is ZKOHLHWKYLOXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(12-5-6-15(20)16(9-12)21-4)18-13-10-17-8-7-14(13)19(2)3/h5-11,18,20H,1-4H3.
What are the key properties of 4-[1-[[4-(dimethylamino)-3-pyridinyl]amino]ethyl]-2-methoxyphenol?
4-[1-[[4-(dimethylamino)-3-pyridinyl]amino]ethyl]-2-methoxyphenol has a molecular weight of 287.36 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[4-(dimethylamino)-3-pyridinyl]amino]ethyl]-2-methoxyphenol is sourced from PubChem (CID 43678633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).