2,6-dimethyl-3-(pyrrolidin-2-ylmethylamino)phenol

C13H20N2O — CID 106637684

IUPAC2,6-dimethyl-3-(pyrrolidin-2-ylmethylamino)phenol
SMILESCc1ccc(NCC2CCCN2)c(C)c1O
InChIInChI=1S/C13H20N2O/c1-9-5-6-12(10(2)13(9)16)15-8-11-4-3-7-14-11/h5-6,11,14-16H,3-4,7-8H2,1-2H3
InChIKeyYKDJCDNWSWYZIX-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.17
Rot. Bonds3

About 2,6-dimethyl-3-(pyrrolidin-2-ylmethylamino)phenol

2,6-dimethyl-3-(pyrrolidin-2-ylmethylamino)phenol (PubChem CID 106637684) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2,6-dimethyl-3-(pyrrolidin-2-ylmethylamino)phenol.

Molecular Properties

Compound Name2,6-dimethyl-3-(pyrrolidin-2-ylmethylamino)phenol
PubChem CID106637684
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2,6-dimethyl-3-(pyrrolidin-2-ylmethylamino)phenol
SMILESCc1ccc(NCC2CCCN2)c(C)c1O
InChIInChI=1S/C13H20N2O/c1-9-5-6-12(10(2)13(9)16)15-8-11-4-3-7-14-11/h5-6,11,14-16H,3-4,7-8H2,1-2H3
InChIKeyYKDJCDNWSWYZIX-UHFFFAOYSA-N
XLogP2.17
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenol
CID 79541859
2,3,5,6-tetramethyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208055
2,6-dimethyl-3-(oxan-4-ylmethylamino)phenol
CID 62385987
N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 43710389
(2S)-N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 61179515
3-methyl-6-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117296067
2,5-dimethyl-4-(piperidin-2-ylmethylamino)phenol
CID 106953789
5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethylamino)phenol
CID 115047766
2-chloro-4-methyl-N-(piperidin-2-ylmethyl)aniline
CID 106633070
N,4-dimethyl-3-(piperidin-2-ylmethylamino)benzamide
CID 106633432
2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106637178
5-bromo-2-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210168

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-(pyrrolidin-2-ylmethylamino)phenol?
The IUPAC name of 2,6-dimethyl-3-(pyrrolidin-2-ylmethylamino)phenol (CID 106637684) is 2,6-dimethyl-3-(pyrrolidin-2-ylmethylamino)phenol.
What is the SMILES notation for 2,6-dimethyl-3-(pyrrolidin-2-ylmethylamino)phenol?
The canonical SMILES for 2,6-dimethyl-3-(pyrrolidin-2-ylmethylamino)phenol is Cc1ccc(NCC2CCCN2)c(C)c1O.
What is the InChIKey of 2,6-dimethyl-3-(pyrrolidin-2-ylmethylamino)phenol?
The InChIKey is YKDJCDNWSWYZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-5-6-12(10(2)13(9)16)15-8-11-4-3-7-14-11/h5-6,11,14-16H,3-4,7-8H2,1-2H3.
What are the key properties of 2,6-dimethyl-3-(pyrrolidin-2-ylmethylamino)phenol?
2,6-dimethyl-3-(pyrrolidin-2-ylmethylamino)phenol has a molecular weight of 220.32 g/mol, XLogP of 2.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-(pyrrolidin-2-ylmethylamino)phenol is sourced from PubChem (CID 106637684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).