2-[amino(2-methylpropyl)amino]-1-phenylethanol

C12H20N2O — CID 21361101

IUPAC2-[amino(2-methylpropyl)amino]-1-phenylethanol
SMILESCC(C)CN(N)CC(O)c1ccccc1
InChIInChI=1S/C12H20N2O/c1-10(2)8-14(13)9-12(15)11-6-4-3-5-7-11/h3-7,10,12,15H,8-9,13H2,1-2H3
InChIKeyODXFGRZMHSHETM-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.55
Rot. Bonds5

About 2-[amino(2-methylpropyl)amino]-1-phenylethanol

2-[amino(2-methylpropyl)amino]-1-phenylethanol (PubChem CID 21361101) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-[amino(2-methylpropyl)amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[amino(2-methylpropyl)amino]-1-phenylethanol
PubChem CID21361101
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-[amino(2-methylpropyl)amino]-1-phenylethanol
SMILESCC(C)CN(N)CC(O)c1ccccc1
InChIInChI=1S/C12H20N2O/c1-10(2)8-14(13)9-12(15)11-6-4-3-5-7-11/h3-7,10,12,15H,8-9,13H2,1-2H3
InChIKeyODXFGRZMHSHETM-UHFFFAOYSA-N
XLogP1.55
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methyl-1-phenylhexan-1-ol
CID 10997859
(1S)-2-[methyl-[(2S)-2-phenylpropyl]amino]-1-phenylethanol
CID 40768444
3-[methyl(2-methylpropyl)amino]-1-phenylpropan-1-ol
CID 62613916
3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol
CID 62613763
2-[benzhydryl(methyl)amino]-1-phenylethanol
CID 3505407
(2S)-3-amino-1-[amino(2-methylpropyl)amino]-4-phenylbutan-2-ol
CID 154522413
(2S,3S)-3-amino-1-[amino(2-methylpropyl)amino]-4-phenylbutan-2-ol
CID 10514918
N-(2-hydroxy-2-phenylethyl)-N-propan-2-ylnitrous amide
CID 14194446
2-amino-1-phenylethanol;ethane
CID 91425169
(1R)-2-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol
CID 93163253
1-amino-3-tert-butyl-1-(4-hydroxy-4-phenylbutyl)-3-(2-methylpropyl)urea
CID 67651010
(4R)-1-phenylpentane-1,4-diol
CID 13204353

Frequently Asked Questions

What is the IUPAC name of 2-[amino(2-methylpropyl)amino]-1-phenylethanol?
The IUPAC name of 2-[amino(2-methylpropyl)amino]-1-phenylethanol (CID 21361101) is 2-[amino(2-methylpropyl)amino]-1-phenylethanol.
What is the SMILES notation for 2-[amino(2-methylpropyl)amino]-1-phenylethanol?
The canonical SMILES for 2-[amino(2-methylpropyl)amino]-1-phenylethanol is CC(C)CN(N)CC(O)c1ccccc1.
What is the InChIKey of 2-[amino(2-methylpropyl)amino]-1-phenylethanol?
The InChIKey is ODXFGRZMHSHETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10(2)8-14(13)9-12(15)11-6-4-3-5-7-11/h3-7,10,12,15H,8-9,13H2,1-2H3.
What are the key properties of 2-[amino(2-methylpropyl)amino]-1-phenylethanol?
2-[amino(2-methylpropyl)amino]-1-phenylethanol has a molecular weight of 208.31 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(2-methylpropyl)amino]-1-phenylethanol is sourced from PubChem (CID 21361101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).