2-[(3-amino-2-methyl-3-phenylpropyl)-(2-hydroxyethyl)amino]ethanol

C14H24N2O2 — CID 62619271

IUPAC2-[(3-amino-2-methyl-3-phenylpropyl)-(2-hydroxyethyl)amino]ethanol
SMILESCC(CN(CCO)CCO)C(N)c1ccccc1
InChIInChI=1S/C14H24N2O2/c1-12(11-16(7-9-17)8-10-18)14(15)13-5-3-2-4-6-13/h2-6,12,14,17-18H,7-11,15H2,1H3
InChIKeyXSRXUKIUQORPQA-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.61
Rot. Bonds8

About 2-[(3-amino-2-methyl-3-phenylpropyl)-(2-hydroxyethyl)amino]ethanol

2-[(3-amino-2-methyl-3-phenylpropyl)-(2-hydroxyethyl)amino]ethanol (PubChem CID 62619271) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[(3-amino-2-methyl-3-phenylpropyl)-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-amino-2-methyl-3-phenylpropyl)-(2-hydroxyethyl)amino]ethanol
PubChem CID62619271
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-[(3-amino-2-methyl-3-phenylpropyl)-(2-hydroxyethyl)amino]ethanol
SMILESCC(CN(CCO)CCO)C(N)c1ccccc1
InChIInChI=1S/C14H24N2O2/c1-12(11-16(7-9-17)8-10-18)14(15)13-5-3-2-4-6-13/h2-6,12,14,17-18H,7-11,15H2,1H3
InChIKeyXSRXUKIUQORPQA-UHFFFAOYSA-N
XLogP0.61
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N',N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62618546
N'-ethyl-2-methyl-N'-(2-methylpropyl)-1-phenylpropane-1,3-diamine
CID 62618547
2-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
CID 62619076
2-[(3-amino-2-phenylpropyl)-(2-hydroxyethyl)amino]ethanol
CID 61242461
2-[[3-(ethylamino)-2-methyl-3-phenylpropyl]-propylamino]ethanol
CID 62618086
2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-ethylamino]ethanol
CID 112679850
2-[(2-chloro-2-phenylethyl)-(2-hydroxyethyl)amino]ethanol
CID 82214215
N'-butan-2-yl-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine
CID 62617195
methyl 3-[bis(2-hydroxyethyl)amino]-2-phenylpropanoate
CID 64565444
N'-(cyclobutylmethyl)-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine
CID 107399437
3-amino-N-ethyl-N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide
CID 80552105
N'-(3,3-dimethylbutan-2-yl)-N',2-dimethyl-1-phenylpropane-1,3-diamine
CID 62617394

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-methyl-3-phenylpropyl)-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(3-amino-2-methyl-3-phenylpropyl)-(2-hydroxyethyl)amino]ethanol (CID 62619271) is 2-[(3-amino-2-methyl-3-phenylpropyl)-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(3-amino-2-methyl-3-phenylpropyl)-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(3-amino-2-methyl-3-phenylpropyl)-(2-hydroxyethyl)amino]ethanol is CC(CN(CCO)CCO)C(N)c1ccccc1.
What is the InChIKey of 2-[(3-amino-2-methyl-3-phenylpropyl)-(2-hydroxyethyl)amino]ethanol?
The InChIKey is XSRXUKIUQORPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-12(11-16(7-9-17)8-10-18)14(15)13-5-3-2-4-6-13/h2-6,12,14,17-18H,7-11,15H2,1H3.
What are the key properties of 2-[(3-amino-2-methyl-3-phenylpropyl)-(2-hydroxyethyl)amino]ethanol?
2-[(3-amino-2-methyl-3-phenylpropyl)-(2-hydroxyethyl)amino]ethanol has a molecular weight of 252.36 g/mol, XLogP of 0.61, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-methyl-3-phenylpropyl)-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 62619271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).