[2-[[2-amino-1-(2,5-dimethylphenyl)ethyl]amino]cyclopentyl]methanol

C16H26N2O — CID 106360163

IUPAC[2-[[2-amino-1-(2,5-dimethylphenyl)ethyl]amino]cyclopentyl]methanol
SMILESCc1ccc(C)c(C(CN)NC2CCCC2CO)c1
InChIInChI=1S/C16H26N2O/c1-11-6-7-12(2)14(8-11)16(9-17)18-15-5-3-4-13(15)10-19/h6-8,13,15-16,18-19H,3-5,9-10,17H2,1-2H3
InChIKeyKYBDLHTZLBHYEH-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.05
Rot. Bonds5

About [2-[[2-amino-1-(2,5-dimethylphenyl)ethyl]amino]cyclopentyl]methanol

[2-[[2-amino-1-(2,5-dimethylphenyl)ethyl]amino]cyclopentyl]methanol (PubChem CID 106360163) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is [2-[[2-amino-1-(2,5-dimethylphenyl)ethyl]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[[2-amino-1-(2,5-dimethylphenyl)ethyl]amino]cyclopentyl]methanol
PubChem CID106360163
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name[2-[[2-amino-1-(2,5-dimethylphenyl)ethyl]amino]cyclopentyl]methanol
SMILESCc1ccc(C)c(C(CN)NC2CCCC2CO)c1
InChIInChI=1S/C16H26N2O/c1-11-6-7-12(2)14(8-11)16(9-17)18-15-5-3-4-13(15)10-19/h6-8,13,15-16,18-19H,3-5,9-10,17H2,1-2H3
InChIKeyKYBDLHTZLBHYEH-UHFFFAOYSA-N
XLogP2.05
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-[[2-amino-1-(2,5-dimethylphenyl)ethyl]amino]cyclopentyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[[2-amino-1-(2,5-dimethylphenyl)ethyl]amino]cyclopentyl]methanol?
The IUPAC name of [2-[[2-amino-1-(2,5-dimethylphenyl)ethyl]amino]cyclopentyl]methanol (CID 106360163) is [2-[[2-amino-1-(2,5-dimethylphenyl)ethyl]amino]cyclopentyl]methanol.
What is the SMILES notation for [2-[[2-amino-1-(2,5-dimethylphenyl)ethyl]amino]cyclopentyl]methanol?
The canonical SMILES for [2-[[2-amino-1-(2,5-dimethylphenyl)ethyl]amino]cyclopentyl]methanol is Cc1ccc(C)c(C(CN)NC2CCCC2CO)c1.
What is the InChIKey of [2-[[2-amino-1-(2,5-dimethylphenyl)ethyl]amino]cyclopentyl]methanol?
The InChIKey is KYBDLHTZLBHYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11-6-7-12(2)14(8-11)16(9-17)18-15-5-3-4-13(15)10-19/h6-8,13,15-16,18-19H,3-5,9-10,17H2,1-2H3.
What are the key properties of [2-[[2-amino-1-(2,5-dimethylphenyl)ethyl]amino]cyclopentyl]methanol?
[2-[[2-amino-1-(2,5-dimethylphenyl)ethyl]amino]cyclopentyl]methanol has a molecular weight of 262.40 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-amino-1-(2,5-dimethylphenyl)ethyl]amino]cyclopentyl]methanol is sourced from PubChem (CID 106360163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).