2-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]phenol

C17H26N2O — CID 107700278

IUPAC2-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]phenol
SMILESCc1ccc(NC2CCCCC2C2CCCN2)cc1O
InChIInChI=1S/C17H26N2O/c1-12-8-9-13(11-17(12)20)19-16-6-3-2-5-14(16)15-7-4-10-18-15/h8-9,11,14-16,18-20H,2-7,10H2,1H3
InChIKeyBVEXATDIZGXOIM-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.42
Rot. Bonds3

About 2-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]phenol

2-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]phenol (PubChem CID 107700278) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]phenol.

Molecular Properties

Compound Name2-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]phenol
PubChem CID107700278
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]phenol
SMILESCc1ccc(NC2CCCCC2C2CCCN2)cc1O
InChIInChI=1S/C17H26N2O/c1-12-8-9-13(11-17(12)20)19-16-6-3-2-5-14(16)15-7-4-10-18-15/h8-9,11,14-16,18-20H,2-7,10H2,1H3
InChIKeyBVEXATDIZGXOIM-UHFFFAOYSA-N
XLogP3.42
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-piperidin-2-ylcyclohexyl)amino]phenol
CID 79553578
4-[(2-piperidin-2-ylcyclopentyl)amino]phenol
CID 79545447
2,4,6-trimethyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79536673
4-fluoro-3-methoxy-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 114838335
N-(2-pyrrolidin-2-ylcyclohexyl)-1H-indol-5-amine
CID 79539275
4-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79543661
4-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 107619264
3-bromo-4-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 104775959
N-(2-pyrrolidin-2-ylcyclopentyl)-1,3-benzodioxol-5-amine
CID 79536079
2-chloro-1-N,1-N-dimethyl-4-N-(2-pyrrolidin-2-ylcyclopentyl)benzene-1,4-diamine
CID 79536895
N-(2-pyrrolidin-2-ylcyclohexyl)-1H-indazol-5-amine
CID 79536417
3-bromo-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 107582137

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]phenol?
The IUPAC name of 2-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]phenol (CID 107700278) is 2-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]phenol.
What is the SMILES notation for 2-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]phenol?
The canonical SMILES for 2-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]phenol is Cc1ccc(NC2CCCCC2C2CCCN2)cc1O.
What is the InChIKey of 2-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]phenol?
The InChIKey is BVEXATDIZGXOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-8-9-13(11-17(12)20)19-16-6-3-2-5-14(16)15-7-4-10-18-15/h8-9,11,14-16,18-20H,2-7,10H2,1H3.
What are the key properties of 2-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]phenol?
2-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]phenol has a molecular weight of 274.41 g/mol, XLogP of 3.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]phenol is sourced from PubChem (CID 107700278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).