3-[[(2-hydroxy-2-phenylethyl)amino]methyl]pentan-3-ol

C14H23NO2 — CID 65111204

IUPAC3-[[(2-hydroxy-2-phenylethyl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCC(O)c1ccccc1
InChIInChI=1S/C14H23NO2/c1-3-14(17,4-2)11-15-10-13(16)12-8-6-5-7-9-12/h5-9,13,15-17H,3-4,10-11H2,1-2H3
InChIKeySNPLSWBVJYGNFN-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.86
Rot. Bonds7

About 3-[[(2-hydroxy-2-phenylethyl)amino]methyl]pentan-3-ol

3-[[(2-hydroxy-2-phenylethyl)amino]methyl]pentan-3-ol (PubChem CID 65111204) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-[[(2-hydroxy-2-phenylethyl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(2-hydroxy-2-phenylethyl)amino]methyl]pentan-3-ol
PubChem CID65111204
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-[[(2-hydroxy-2-phenylethyl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCC(O)c1ccccc1
InChIInChI=1S/C14H23NO2/c1-3-14(17,4-2)11-15-10-13(16)12-8-6-5-7-9-12/h5-9,13,15-17H,3-4,10-11H2,1-2H3
InChIKeySNPLSWBVJYGNFN-UHFFFAOYSA-N
XLogP1.86
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-hydroxy-2-phenylethyl)amino]-2-phenylpropan-2-ol
CID 62375669
(1S)-2-(ethylamino)-1-phenylethanol
CID 38989247
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
2-(2-methylpropylamino)-1-phenylethanol
CID 3939463
1-phenyl-2-(2-phenylpropylamino)ethanol
CID 17158257
(1R)-1-phenyl-2-(2-phenylpropylamino)ethanol
CID 67763390
1-phenyl-2-(prop-2-ynylamino)ethanol
CID 4724225
2-[(2,6-dimethylphenyl)methylamino]-1-phenylethanol
CID 70462318
(1S)-2-(hexylamino)-1-phenylethanol
CID 102581936
2-ethyl-2-[(2-hydroxy-2-phenylethyl)amino]propane-1,3-diol
CID 103602722
3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]pentan-3-ol
CID 65111103
ethyl 2-[(2-hydroxy-2-phenylethyl)amino]acetate
CID 43393105

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-hydroxy-2-phenylethyl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(2-hydroxy-2-phenylethyl)amino]methyl]pentan-3-ol (CID 65111204) is 3-[[(2-hydroxy-2-phenylethyl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(2-hydroxy-2-phenylethyl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(2-hydroxy-2-phenylethyl)amino]methyl]pentan-3-ol is CCC(O)(CC)CNCC(O)c1ccccc1.
What is the InChIKey of 3-[[(2-hydroxy-2-phenylethyl)amino]methyl]pentan-3-ol?
The InChIKey is SNPLSWBVJYGNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-14(17,4-2)11-15-10-13(16)12-8-6-5-7-9-12/h5-9,13,15-17H,3-4,10-11H2,1-2H3.
What are the key properties of 3-[[(2-hydroxy-2-phenylethyl)amino]methyl]pentan-3-ol?
3-[[(2-hydroxy-2-phenylethyl)amino]methyl]pentan-3-ol has a molecular weight of 237.34 g/mol, XLogP of 1.86, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-hydroxy-2-phenylethyl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 65111204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).