4-[(1-amino-2-methyl-3-phenylpropan-2-yl)amino]pentan-2-ol

C15H26N2O — CID 113376174

IUPAC4-[(1-amino-2-methyl-3-phenylpropan-2-yl)amino]pentan-2-ol
SMILESCC(O)CC(C)NC(C)(CN)Cc1ccccc1
InChIInChI=1S/C15H26N2O/c1-12(9-13(2)18)17-15(3,11-16)10-14-7-5-4-6-8-14/h4-8,12-13,17-18H,9-11,16H2,1-3H3
InChIKeyIXHCUWQAXUMZHH-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.70
Rot. Bonds7

About 4-[(1-amino-2-methyl-3-phenylpropan-2-yl)amino]pentan-2-ol

4-[(1-amino-2-methyl-3-phenylpropan-2-yl)amino]pentan-2-ol (PubChem CID 113376174) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-[(1-amino-2-methyl-3-phenylpropan-2-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name4-[(1-amino-2-methyl-3-phenylpropan-2-yl)amino]pentan-2-ol
PubChem CID113376174
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-[(1-amino-2-methyl-3-phenylpropan-2-yl)amino]pentan-2-ol
SMILESCC(O)CC(C)NC(C)(CN)Cc1ccccc1
InChIInChI=1S/C15H26N2O/c1-12(9-13(2)18)17-15(3,11-16)10-14-7-5-4-6-8-14/h4-8,12-13,17-18H,9-11,16H2,1-3H3
InChIKeyIXHCUWQAXUMZHH-UHFFFAOYSA-N
XLogP1.70
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine
CID 114989368
2-methyl-2-N-(2-methylpropyl)-3-phenylpropane-1,2-diamine
CID 65384350
2-N-[2-(dimethylamino)ethyl]-2-methyl-3-phenylpropane-1,2-diamine
CID 65382903
2-amino-1-phenylbutane-2,3-diol
CID 175388454
(2R,4S)-6-phenylhexane-2,4-diol
CID 101030295
(2S)-2,3-dimethyl-1-phenylbutan-2-amine
CID 93299297
N-(1-amino-2,3-dimethylbutan-2-yl)-2-phenylacetamide;hydrochloride
CID 119608428
(3R,4S)-1-amino-4-(dibenzylamino)-2,2-dimethylpentan-3-ol
CID 10687602
(2S,3R)-3-benzyl-4,4-dimethylpentane-2,3-diol
CID 10922116
2-benzyl-3,3-difluoro-2-methylpropan-1-amine
CID 84721110
4-phenylheptane-2,6-diol
CID 173150769
2,2,4,4-tetramethyl-1-phenylpentan-3-ol
CID 57049291

Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-2-methyl-3-phenylpropan-2-yl)amino]pentan-2-ol?
The IUPAC name of 4-[(1-amino-2-methyl-3-phenylpropan-2-yl)amino]pentan-2-ol (CID 113376174) is 4-[(1-amino-2-methyl-3-phenylpropan-2-yl)amino]pentan-2-ol.
What is the SMILES notation for 4-[(1-amino-2-methyl-3-phenylpropan-2-yl)amino]pentan-2-ol?
The canonical SMILES for 4-[(1-amino-2-methyl-3-phenylpropan-2-yl)amino]pentan-2-ol is CC(O)CC(C)NC(C)(CN)Cc1ccccc1.
What is the InChIKey of 4-[(1-amino-2-methyl-3-phenylpropan-2-yl)amino]pentan-2-ol?
The InChIKey is IXHCUWQAXUMZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12(9-13(2)18)17-15(3,11-16)10-14-7-5-4-6-8-14/h4-8,12-13,17-18H,9-11,16H2,1-3H3.
What are the key properties of 4-[(1-amino-2-methyl-3-phenylpropan-2-yl)amino]pentan-2-ol?
4-[(1-amino-2-methyl-3-phenylpropan-2-yl)amino]pentan-2-ol has a molecular weight of 250.39 g/mol, XLogP of 1.70, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-2-methyl-3-phenylpropan-2-yl)amino]pentan-2-ol is sourced from PubChem (CID 113376174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).