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

C15H23NO — CID 64908843

IUPAC2-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]phenol
SMILESCC(NC1CCC(C)C1C)c1ccccc1O
InChIInChI=1S/C15H23NO/c1-10-8-9-14(11(10)2)16-12(3)13-6-4-5-7-15(13)17/h4-7,10-12,14,16-17H,8-9H2,1-3H3
InChIKeyNJGJPTRPCSRRHX-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.48
Rot. Bonds3

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

2-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]phenol (PubChem CID 64908843) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]phenol.

Molecular Properties

Compound Name2-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]phenol
PubChem CID64908843
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]phenol
SMILESCC(NC1CCC(C)C1C)c1ccccc1O
InChIInChI=1S/C15H23NO/c1-10-8-9-14(11(10)2)16-12(3)13-6-4-5-7-15(13)17/h4-7,10-12,14,16-17H,8-9H2,1-3H3
InChIKeyNJGJPTRPCSRRHX-UHFFFAOYSA-N
XLogP3.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.48
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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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]phenol?
The IUPAC name of 2-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]phenol (CID 64908843) is 2-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]phenol.
What is the SMILES notation for 2-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]phenol?
The canonical SMILES for 2-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]phenol is CC(NC1CCC(C)C1C)c1ccccc1O.
What is the InChIKey of 2-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]phenol?
The InChIKey is NJGJPTRPCSRRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10-8-9-14(11(10)2)16-12(3)13-6-4-5-7-15(13)17/h4-7,10-12,14,16-17H,8-9H2,1-3H3.
What are the key properties of 2-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]phenol?
2-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]phenol has a molecular weight of 233.36 g/mol, XLogP of 3.48, 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]phenol is sourced from PubChem (CID 64908843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).