3-[(2-hydroxy-2-phenylpropyl)amino]-3-methylpentan-1-ol

C15H25NO2 — CID 114154109

IUPAC3-[(2-hydroxy-2-phenylpropyl)amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NCC(C)(O)c1ccccc1
InChIInChI=1S/C15H25NO2/c1-4-14(2,10-11-17)16-12-15(3,18)13-8-6-5-7-9-13/h5-9,16-18H,4,10-12H2,1-3H3
InChIKeyZIKDSWAVQZSIIA-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.03
Rot. Bonds7

About 3-[(2-hydroxy-2-phenylpropyl)amino]-3-methylpentan-1-ol

3-[(2-hydroxy-2-phenylpropyl)amino]-3-methylpentan-1-ol (PubChem CID 114154109) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-[(2-hydroxy-2-phenylpropyl)amino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(2-hydroxy-2-phenylpropyl)amino]-3-methylpentan-1-ol
PubChem CID114154109
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-[(2-hydroxy-2-phenylpropyl)amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NCC(C)(O)c1ccccc1
InChIInChI=1S/C15H25NO2/c1-4-14(2,10-11-17)16-12-15(3,18)13-8-6-5-7-9-13/h5-9,16-18H,4,10-12H2,1-3H3
InChIKeyZIKDSWAVQZSIIA-UHFFFAOYSA-N
XLogP2.03
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-hydroxy-2-phenylpropyl)amino]-2-methylbutanoic acid
CID 79789645
2-ethyl-2-[(2-hydroxy-2-phenylpropyl)amino]butanoic acid
CID 79809198
6-phenylheptane-1,6-diol
CID 11310303
3-methyl-3-(naphthalen-1-ylmethylamino)pentan-1-ol
CID 103774843
1-(2-cyclopropylpropan-2-ylamino)-2-phenylpropan-2-ol
CID 113428863
3-methyl-3-phenylpentane-1,5-diol
CID 3019682
3,4-dimethyl-3,4-diphenylhexane-1,6-diol
CID 102025625
4,4-dimethyl-3-phenylpentane-1,3-diol
CID 135018843
1-(methylamino)-2-phenylpropan-2-ol;palladium;tetrahydrochloride
CID 173355754
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-3-methylpentan-1-ol
CID 106175193
3-methyl-3-(quinolin-2-ylmethylamino)pentan-1-ol
CID 103768861
2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]benzoic acid
CID 106167893

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-2-phenylpropyl)amino]-3-methylpentan-1-ol?
The IUPAC name of 3-[(2-hydroxy-2-phenylpropyl)amino]-3-methylpentan-1-ol (CID 114154109) is 3-[(2-hydroxy-2-phenylpropyl)amino]-3-methylpentan-1-ol.
What is the SMILES notation for 3-[(2-hydroxy-2-phenylpropyl)amino]-3-methylpentan-1-ol?
The canonical SMILES for 3-[(2-hydroxy-2-phenylpropyl)amino]-3-methylpentan-1-ol is CCC(C)(CCO)NCC(C)(O)c1ccccc1.
What is the InChIKey of 3-[(2-hydroxy-2-phenylpropyl)amino]-3-methylpentan-1-ol?
The InChIKey is ZIKDSWAVQZSIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-14(2,10-11-17)16-12-15(3,18)13-8-6-5-7-9-13/h5-9,16-18H,4,10-12H2,1-3H3.
What are the key properties of 3-[(2-hydroxy-2-phenylpropyl)amino]-3-methylpentan-1-ol?
3-[(2-hydroxy-2-phenylpropyl)amino]-3-methylpentan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.03, 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-phenylpropyl)amino]-3-methylpentan-1-ol is sourced from PubChem (CID 114154109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).