2-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]-5-methylphenol

C16H25NO — CID 64907793

IUPAC2-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]-5-methylphenol
SMILESCc1ccc(C(C)NC2CCC(C)C2C)c(O)c1
InChIInChI=1S/C16H25NO/c1-10-5-7-14(16(18)9-10)13(4)17-15-8-6-11(2)12(15)3/h5,7,9,11-13,15,17-18H,6,8H2,1-4H3
InChIKeyZDPGVOLAPGGLTG-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.79
Rot. Bonds3

About 2-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]-5-methylphenol

2-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]-5-methylphenol (PubChem CID 64907793) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]-5-methylphenol.

Molecular Properties

Compound Name2-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]-5-methylphenol
PubChem CID64907793
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]-5-methylphenol
SMILESCc1ccc(C(C)NC2CCC(C)C2C)c(O)c1
InChIInChI=1S/C16H25NO/c1-10-5-7-14(16(18)9-10)13(4)17-15-8-6-11(2)12(15)3/h5,7,9,11-13,15,17-18H,6,8H2,1-4H3
InChIKeyZDPGVOLAPGGLTG-UHFFFAOYSA-N
XLogP3.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]phenol
CID 64908843
2-[1-[(2-tert-butylcyclohexyl)amino]ethyl]-5-methylphenol
CID 43673859
5-methyl-2-[1-(thian-4-ylamino)ethyl]phenol
CID 104583138
5-methyl-2-[1-(thian-3-ylamino)ethyl]phenol
CID 113429398
2-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-5-methylphenol
CID 114629009
5-methyl-2-[1-[(4-methylpiperazin-1-yl)amino]ethyl]phenol
CID 83010493
2-[hydroxy-[(4-methylcyclohexyl)amino]methyl]-5-methylphenol
CID 137427200
5-methyl-2-[1-(thiolan-3-ylmethylamino)ethyl]phenol
CID 107295152
cobalt;bis(5-methyl-2-propan-2-ylphenol)
CID 156896903
bis(5-methyl-2-propan-2-ylphenol);dihydroiodide
CID 69164517
5-methyl-2-propan-2-ylphenol;zinc
CID 160855786
2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]-5-methylphenol
CID 104582413

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]-5-methylphenol?
The IUPAC name of 2-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]-5-methylphenol (CID 64907793) is 2-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]-5-methylphenol.
What is the SMILES notation for 2-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]-5-methylphenol?
The canonical SMILES for 2-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]-5-methylphenol is Cc1ccc(C(C)NC2CCC(C)C2C)c(O)c1.
What is the InChIKey of 2-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]-5-methylphenol?
The InChIKey is ZDPGVOLAPGGLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-10-5-7-14(16(18)9-10)13(4)17-15-8-6-11(2)12(15)3/h5,7,9,11-13,15,17-18H,6,8H2,1-4H3.
What are the key properties of 2-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]-5-methylphenol?
2-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]-5-methylphenol has a molecular weight of 247.38 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]-5-methylphenol is sourced from PubChem (CID 64907793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).