ethane;[[(1R)-1-phenylethyl]amino]methanol

C13H25NO — CID 157126803

IUPACethane;[[(1R)-1-phenylethyl]amino]methanol
SMILESCC.CC.C[C@@H](NCO)c1ccccc1
InChIInChI=1S/C9H13NO.2C2H6/c1-8(10-7-11)9-5-3-2-4-6-9;2*1-2/h2-6,8,10-11H,7H2,1H3;2*1-2H3/t8-;;/m1../s1
InChIKeyAIPFYOUCRDUEKU-YCBDHFTFSA-N
MW211.35 g/mol
LogP3.34
Rot. Bonds3

About ethane;[[(1R)-1-phenylethyl]amino]methanol

ethane;[[(1R)-1-phenylethyl]amino]methanol (PubChem CID 157126803) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is ethane;[[(1R)-1-phenylethyl]amino]methanol.

Molecular Properties

Compound Nameethane;[[(1R)-1-phenylethyl]amino]methanol
PubChem CID157126803
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Nameethane;[[(1R)-1-phenylethyl]amino]methanol
SMILESCC.CC.C[C@@H](NCO)c1ccccc1
InChIInChI=1S/C9H13NO.2C2H6/c1-8(10-7-11)9-5-3-2-4-6-9;2*1-2/h2-6,8,10-11H,7H2,1H3;2*1-2H3/t8-;;/m1../s1
InChIKeyAIPFYOUCRDUEKU-YCBDHFTFSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine
CID 12964090
N,N'-bis[(1R)-1-phenylethyl]heptane-1,7-diamine
CID 101387383
2-methyl-N-(1-phenylethyl)prop-2-en-1-amine
CID 60684137
1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 15470316
1,4-bis(1-phenylethylamino)butane-2,3-diol
CID 20833353
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
(1S)-1-phenyl-2-(1-phenylethylamino)ethanol
CID 70464051
1-phenyl-2-(1-phenylethylamino)ethanol
CID 4665183
N,N-diphenyl-2-(1-phenylethylamino)acetamide
CID 68968814
2,2-dimethyl-5-(1-phenylethylamino)pentan-1-ol
CID 111522029
2-[(1-phenylethylamino)methyl]phenol
CID 3669487
4-[[(1S)-1-phenylethyl]amino]butanoic acid
CID 63866910

Frequently Asked Questions

What is the IUPAC name of ethane;[[(1R)-1-phenylethyl]amino]methanol?
The IUPAC name of ethane;[[(1R)-1-phenylethyl]amino]methanol (CID 157126803) is ethane;[[(1R)-1-phenylethyl]amino]methanol.
What is the SMILES notation for ethane;[[(1R)-1-phenylethyl]amino]methanol?
The canonical SMILES for ethane;[[(1R)-1-phenylethyl]amino]methanol is CC.CC.C[C@@H](NCO)c1ccccc1.
What is the InChIKey of ethane;[[(1R)-1-phenylethyl]amino]methanol?
The InChIKey is AIPFYOUCRDUEKU-YCBDHFTFSA-N. The full InChI is InChI=1S/C9H13NO.2C2H6/c1-8(10-7-11)9-5-3-2-4-6-9;2*1-2/h2-6,8,10-11H,7H2,1H3;2*1-2H3/t8-;;/m1../s1.
What are the key properties of ethane;[[(1R)-1-phenylethyl]amino]methanol?
ethane;[[(1R)-1-phenylethyl]amino]methanol has a molecular weight of 211.35 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[[(1R)-1-phenylethyl]amino]methanol is sourced from PubChem (CID 157126803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).