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

C16H21N3O — CID 43707996

IUPAC2-[1-[[2-(dimethylamino)-3-pyridinyl]amino]ethyl]-4-methylphenol
SMILESCc1ccc(O)c(C(C)Nc2cccnc2N(C)C)c1
InChIInChI=1S/C16H21N3O/c1-11-7-8-15(20)13(10-11)12(2)18-14-6-5-9-17-16(14)19(3)4/h5-10,12,18,20H,1-4H3
InChIKeyFIDDIDNTGUTCHU-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.33
Rot. Bonds4

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

2-[1-[[2-(dimethylamino)-3-pyridinyl]amino]ethyl]-4-methylphenol (PubChem CID 43707996) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[1-[[2-(dimethylamino)-3-pyridinyl]amino]ethyl]-4-methylphenol.

Molecular Properties

Compound Name2-[1-[[2-(dimethylamino)-3-pyridinyl]amino]ethyl]-4-methylphenol
PubChem CID43707996
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[1-[[2-(dimethylamino)-3-pyridinyl]amino]ethyl]-4-methylphenol
SMILESCc1ccc(O)c(C(C)Nc2cccnc2N(C)C)c1
InChIInChI=1S/C16H21N3O/c1-11-7-8-15(20)13(10-11)12(2)18-14-6-5-9-17-16(14)19(3)4/h5-10,12,18,20H,1-4H3
InChIKeyFIDDIDNTGUTCHU-UHFFFAOYSA-N
XLogP3.33
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-N-[1-(2,4-dimethylphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707870
5-methyl-2-[1-[(2-methyl-3-pyridinyl)amino]ethyl]phenol
CID 79042446
3-N-[1-(2-methoxyphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707770
2-N,2-N-dimethyl-3-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3-diamine
CID 43707902
2-[1-[(2-chloro-3-pyridinyl)amino]ethyl]benzene-1,4-diol
CID 43689977
2-N,2-N-dimethyl-3-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]pyridine-2,3-diamine
CID 43784227
2-N,2-N-dimethyl-3-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine
CID 43707843
2-N,2-N-dimethyl-3-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2,3-diamine
CID 43707985
2-[1-(quinolin-8-ylamino)ethyl]benzene-1,4-diol
CID 43191666
3-N-(1,1-difluoropropan-2-yl)-2-N,2-N-dimethylpyridine-2,3-diamine
CID 102868575
2-[1-[[3-(dimethylamino)pyrazin-2-yl]amino]ethyl]phenol
CID 135096176
2-N,2-N-dimethyl-3-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-2,3-diamine
CID 43707765

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(dimethylamino)-3-pyridinyl]amino]ethyl]-4-methylphenol?
The IUPAC name of 2-[1-[[2-(dimethylamino)-3-pyridinyl]amino]ethyl]-4-methylphenol (CID 43707996) is 2-[1-[[2-(dimethylamino)-3-pyridinyl]amino]ethyl]-4-methylphenol.
What is the SMILES notation for 2-[1-[[2-(dimethylamino)-3-pyridinyl]amino]ethyl]-4-methylphenol?
The canonical SMILES for 2-[1-[[2-(dimethylamino)-3-pyridinyl]amino]ethyl]-4-methylphenol is Cc1ccc(O)c(C(C)Nc2cccnc2N(C)C)c1.
What is the InChIKey of 2-[1-[[2-(dimethylamino)-3-pyridinyl]amino]ethyl]-4-methylphenol?
The InChIKey is FIDDIDNTGUTCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-7-8-15(20)13(10-11)12(2)18-14-6-5-9-17-16(14)19(3)4/h5-10,12,18,20H,1-4H3.
What are the key properties of 2-[1-[[2-(dimethylamino)-3-pyridinyl]amino]ethyl]-4-methylphenol?
2-[1-[[2-(dimethylamino)-3-pyridinyl]amino]ethyl]-4-methylphenol has a molecular weight of 271.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(dimethylamino)-3-pyridinyl]amino]ethyl]-4-methylphenol is sourced from PubChem (CID 43707996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).