2,6-dimethyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenol

C15H24N2O — CID 79541859

IUPAC2,6-dimethyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenol
SMILESCc1ccc(NC(C)CC2CCCN2)c(C)c1O
InChIInChI=1S/C15H24N2O/c1-10-6-7-14(12(3)15(10)18)17-11(2)9-13-5-4-8-16-13/h6-7,11,13,16-18H,4-5,8-9H2,1-3H3
InChIKeyFHTXOKTVFUGXSP-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.95
Rot. Bonds4

About 2,6-dimethyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenol

2,6-dimethyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenol (PubChem CID 79541859) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2,6-dimethyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenol.

Molecular Properties

Compound Name2,6-dimethyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenol
PubChem CID79541859
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2,6-dimethyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenol
SMILESCc1ccc(NC(C)CC2CCCN2)c(C)c1O
InChIInChI=1S/C15H24N2O/c1-10-6-7-14(12(3)15(10)18)17-11(2)9-13-5-4-8-16-13/h6-7,11,13,16-18H,4-5,8-9H2,1-3H3
InChIKeyFHTXOKTVFUGXSP-UHFFFAOYSA-N
XLogP2.95
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-3-(pyrrolidin-2-ylmethylamino)phenol
CID 106637684
N-ethyl-4-methyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide
CID 79538042
2-methyl-3-nitro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541268
4-methyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)benzenesulfonamide
CID 79541051
4-[1-(azepan-2-yl)propan-2-ylamino]-3-methylbenzoic acid
CID 79541323
2-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540004
8-methyl-N-(1-piperidin-2-ylpropan-2-yl)quinolin-5-amine
CID 79537260
3-nitro-4-(1-pyrrolidin-2-ylpropan-2-ylamino)phenol
CID 79541053
4-bromo-2-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 81292262
2-methoxy-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79539126
N-[1-(azepan-2-yl)propan-2-yl]-2-bromo-4-methylaniline
CID 79552971
N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 43710389

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenol?
The IUPAC name of 2,6-dimethyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenol (CID 79541859) is 2,6-dimethyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenol.
What is the SMILES notation for 2,6-dimethyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenol?
The canonical SMILES for 2,6-dimethyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenol is Cc1ccc(NC(C)CC2CCCN2)c(C)c1O.
What is the InChIKey of 2,6-dimethyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenol?
The InChIKey is FHTXOKTVFUGXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10-6-7-14(12(3)15(10)18)17-11(2)9-13-5-4-8-16-13/h6-7,11,13,16-18H,4-5,8-9H2,1-3H3.
What are the key properties of 2,6-dimethyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenol?
2,6-dimethyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenol has a molecular weight of 248.37 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenol is sourced from PubChem (CID 79541859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).