2-[methanidyl(1-phenylethyl)amino]ethanol

C11H16NO- — CID 123296934

IUPAC2-[methanidyl(1-phenylethyl)amino]ethanol
SMILES[CH2-]N(CCO)C(C)c1ccccc1
InChIInChI=1S/C11H16NO/c1-10(12(2)8-9-13)11-6-4-3-5-7-11/h3-7,10,13H,2,8-9H2,1H3/q-1
InChIKeyDYBMNALZZSQBFP-UHFFFAOYSA-N
MW178.25 g/mol
LogP1.83
Rot. Bonds4

About 2-[methanidyl(1-phenylethyl)amino]ethanol

2-[methanidyl(1-phenylethyl)amino]ethanol (PubChem CID 123296934) has the molecular formula C11H16NO- and a molecular weight of 178.25 g/mol. Its IUPAC name is 2-[methanidyl(1-phenylethyl)amino]ethanol.

Molecular Properties

Compound Name2-[methanidyl(1-phenylethyl)amino]ethanol
PubChem CID123296934
Molecular FormulaC11H16NO-
Molecular Weight178.25 g/mol
Exact Mass178.12
IUPAC Name2-[methanidyl(1-phenylethyl)amino]ethanol
SMILES[CH2-]N(CCO)C(C)c1ccccc1
InChIInChI=1S/C11H16NO/c1-10(12(2)8-9-13)11-6-4-3-5-7-11/h3-7,10,13H,2,8-9H2,1H3/q-1
InChIKeyDYBMNALZZSQBFP-UHFFFAOYSA-N
XLogP1.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

(1R)-N-methanidyl-N-methyl-1-phenylethanamine
CID 59297896
(2R)-2-[methyl-[(1R)-1-phenylethyl]amino]-2-phenylethanol
CID 14738807
4-[ethyl-[(1R)-1-phenylethyl]amino]butan-1-ol
CID 129034055
2-[bis(3,3-diphenylpropyl)amino]ethanol
CID 12831214
(1R)-1-phenyl-N,N-bis[(1R)-1-phenylethyl]ethanamine;(1S)-1-phenyl-N,N-bis[(1S)-1-phenylethyl]ethanamine
CID 139197887
2-[(3-amino-2-methyl-3-phenylpropyl)-(2-hydroxyethyl)amino]ethanol
CID 62619271
cumene;methane;2-[methyl(propan-2-yl)amino]ethanol;yttrium
CID 157250683
2-[benzhydryl(ethyl)amino]ethanol
CID 131843300
(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276
2-[2-hydroxyethyl(propan-2-yl)amino]-2-phenylacetic acid
CID 54994766
(2R)-2-[bis(2-hydroxyethyl)amino]-2-phenylacetonitrile
CID 28764892
3-phenyl-N-(3-phenylbutyl)-N-propan-2-ylbutan-1-amine
CID 15365768

Frequently Asked Questions

What is the IUPAC name of 2-[methanidyl(1-phenylethyl)amino]ethanol?
The IUPAC name of 2-[methanidyl(1-phenylethyl)amino]ethanol (CID 123296934) is 2-[methanidyl(1-phenylethyl)amino]ethanol.
What is the SMILES notation for 2-[methanidyl(1-phenylethyl)amino]ethanol?
The canonical SMILES for 2-[methanidyl(1-phenylethyl)amino]ethanol is [CH2-]N(CCO)C(C)c1ccccc1.
What is the InChIKey of 2-[methanidyl(1-phenylethyl)amino]ethanol?
The InChIKey is DYBMNALZZSQBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16NO/c1-10(12(2)8-9-13)11-6-4-3-5-7-11/h3-7,10,13H,2,8-9H2,1H3/q-1.
What are the key properties of 2-[methanidyl(1-phenylethyl)amino]ethanol?
2-[methanidyl(1-phenylethyl)amino]ethanol has a molecular weight of 178.25 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methanidyl(1-phenylethyl)amino]ethanol is sourced from PubChem (CID 123296934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).