2-cyclopropyl-2-[[(1S)-1-phenylethyl]amino]ethanol

C13H19NO — CID 67102510

IUPAC2-cyclopropyl-2-[[(1S)-1-phenylethyl]amino]ethanol
SMILESC[C@H](NC(CO)C1CC1)c1ccccc1
InChIInChI=1S/C13H19NO/c1-10(11-5-3-2-4-6-11)14-13(9-15)12-7-8-12/h2-6,10,12-15H,7-9H2,1H3/t10-,13?/m0/s1
InChIKeyHUCCDWMFSPZEHU-NKUHCKNESA-N
MW205.30 g/mol
LogP2.11
Rot. Bonds5

About 2-cyclopropyl-2-[[(1S)-1-phenylethyl]amino]ethanol

2-cyclopropyl-2-[[(1S)-1-phenylethyl]amino]ethanol (PubChem CID 67102510) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[(1S)-1-phenylethyl]amino]ethanol.

Molecular Properties

Compound Name2-cyclopropyl-2-[[(1S)-1-phenylethyl]amino]ethanol
PubChem CID67102510
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-cyclopropyl-2-[[(1S)-1-phenylethyl]amino]ethanol
SMILESC[C@H](NC(CO)C1CC1)c1ccccc1
InChIInChI=1S/C13H19NO/c1-10(11-5-3-2-4-6-11)14-13(9-15)12-7-8-12/h2-6,10,12-15H,7-9H2,1H3/t10-,13?/m0/s1
InChIKeyHUCCDWMFSPZEHU-NKUHCKNESA-N
XLogP2.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 66953641
(2R)-2-[(1-cyclopropyl-2-phenylethyl)amino]propan-1-ol
CID 103778498
2-(1,3-benzodioxol-5-yl)-1-cyclopropyl-N-[(1R)-1-phenylethyl]ethanamine
CID 168896172
(1S)-1-cyclopentyl-N-[(1R)-1-phenylethyl]ethanamine
CID 67209455
(2S,3R)-3-(1-phenylethylamino)butane-1,2,4-triol
CID 70991072
(2R)-2-[[(1S)-1-phenylethyl]amino]butane-1,4-diol
CID 14041040
3-hydroxy-2-(1-phenylethylamino)propanoic acid
CID 15922108
2-cyclopropyl-N-(1-phenylethyl)propan-1-amine
CID 115638910
N-[cyclopropyl(phenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43724281
2-(1-cyclopentylethylamino)-2-phenylethanol
CID 63182560
1-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]butan-1-amine
CID 113338838
(2S)-2-(1-cyclopropylpropan-2-ylamino)-2-phenylethanol
CID 103784069

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[(1S)-1-phenylethyl]amino]ethanol?
The IUPAC name of 2-cyclopropyl-2-[[(1S)-1-phenylethyl]amino]ethanol (CID 67102510) is 2-cyclopropyl-2-[[(1S)-1-phenylethyl]amino]ethanol.
What is the SMILES notation for 2-cyclopropyl-2-[[(1S)-1-phenylethyl]amino]ethanol?
The canonical SMILES for 2-cyclopropyl-2-[[(1S)-1-phenylethyl]amino]ethanol is C[C@H](NC(CO)C1CC1)c1ccccc1.
What is the InChIKey of 2-cyclopropyl-2-[[(1S)-1-phenylethyl]amino]ethanol?
The InChIKey is HUCCDWMFSPZEHU-NKUHCKNESA-N. The full InChI is InChI=1S/C13H19NO/c1-10(11-5-3-2-4-6-11)14-13(9-15)12-7-8-12/h2-6,10,12-15H,7-9H2,1H3/t10-,13?/m0/s1.
What are the key properties of 2-cyclopropyl-2-[[(1S)-1-phenylethyl]amino]ethanol?
2-cyclopropyl-2-[[(1S)-1-phenylethyl]amino]ethanol has a molecular weight of 205.30 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[(1S)-1-phenylethyl]amino]ethanol is sourced from PubChem (CID 67102510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).