2-[[2-amino-1-(4-methylphenyl)propyl]-propan-2-ylamino]ethanol

C15H26N2O — CID 55016801

IUPAC2-[[2-amino-1-(4-methylphenyl)propyl]-propan-2-ylamino]ethanol
SMILESCc1ccc(C(C(C)N)N(CCO)C(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-11(2)17(9-10-18)15(13(4)16)14-7-5-12(3)6-8-14/h5-8,11,13,15,18H,9-10,16H2,1-4H3
InChIKeyPLGQDFJBCZHFGR-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.09
Rot. Bonds6

About 2-[[2-amino-1-(4-methylphenyl)propyl]-propan-2-ylamino]ethanol

2-[[2-amino-1-(4-methylphenyl)propyl]-propan-2-ylamino]ethanol (PubChem CID 55016801) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[[2-amino-1-(4-methylphenyl)propyl]-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-1-(4-methylphenyl)propyl]-propan-2-ylamino]ethanol
PubChem CID55016801
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[[2-amino-1-(4-methylphenyl)propyl]-propan-2-ylamino]ethanol
SMILESCc1ccc(C(C(C)N)N(CCO)C(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-11(2)17(9-10-18)15(13(4)16)14-7-5-12(3)6-8-14/h5-8,11,13,15,18H,9-10,16H2,1-4H3
InChIKeyPLGQDFJBCZHFGR-UHFFFAOYSA-N
XLogP2.09
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-amino-1-(4-methylphenyl)propyl]-propan-2-ylamino]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-methylphenyl)-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine
CID 55016609
1-(4-bromophenyl)-1-N-ethyl-1-N-propan-2-ylpropane-1,2-diamine
CID 55015880
2-[[2-amino-1-(4-methylphenyl)ethyl]-pentan-3-ylamino]ethanol
CID 55016459
1-[[[2-amino-1-(4-methylphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol
CID 114948033
2-[di(propan-2-yl)amino]ethanol;methane
CID 145105271
2-[[2-amino-1-(3-methylphenyl)propyl]-propan-2-ylamino]acetamide
CID 55020220
1-N-(cyclobutylmethyl)-1-N-ethyl-1-(4-methylphenyl)propane-1,2-diamine
CID 107397353
N'-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62617690
N-[1-(4-methylphenyl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43191140
1-(4-methylphenyl)-2-N,2-N-dipropylpropane-1,2-diamine
CID 43105242
2-[(2-amino-1-phenylpropyl)-benzylamino]ethanol
CID 62116164
1-[[2-amino-1-(4-methylphenyl)butyl]-methylamino]propan-2-ol
CID 62333821

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(4-methylphenyl)propyl]-propan-2-ylamino]ethanol?
The IUPAC name of 2-[[2-amino-1-(4-methylphenyl)propyl]-propan-2-ylamino]ethanol (CID 55016801) is 2-[[2-amino-1-(4-methylphenyl)propyl]-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[[2-amino-1-(4-methylphenyl)propyl]-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[[2-amino-1-(4-methylphenyl)propyl]-propan-2-ylamino]ethanol is Cc1ccc(C(C(C)N)N(CCO)C(C)C)cc1.
What is the InChIKey of 2-[[2-amino-1-(4-methylphenyl)propyl]-propan-2-ylamino]ethanol?
The InChIKey is PLGQDFJBCZHFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11(2)17(9-10-18)15(13(4)16)14-7-5-12(3)6-8-14/h5-8,11,13,15,18H,9-10,16H2,1-4H3.
What are the key properties of 2-[[2-amino-1-(4-methylphenyl)propyl]-propan-2-ylamino]ethanol?
2-[[2-amino-1-(4-methylphenyl)propyl]-propan-2-ylamino]ethanol has a molecular weight of 250.39 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(4-methylphenyl)propyl]-propan-2-ylamino]ethanol is sourced from PubChem (CID 55016801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).