2-methyl-1-[(2-methyl-1-phenylpropyl)amino]butan-2-ol

C15H25NO — CID 65108431

IUPAC2-methyl-1-[(2-methyl-1-phenylpropyl)amino]butan-2-ol
SMILESCCC(C)(O)CNC(c1ccccc1)C(C)C
InChIInChI=1S/C15H25NO/c1-5-15(4,17)11-16-14(12(2)3)13-9-7-6-8-10-13/h6-10,12,14,16-17H,5,11H2,1-4H3
InChIKeyNBTIOHLUGGTOLG-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.13
Rot. Bonds6

About 2-methyl-1-[(2-methyl-1-phenylpropyl)amino]butan-2-ol

2-methyl-1-[(2-methyl-1-phenylpropyl)amino]butan-2-ol (PubChem CID 65108431) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-methyl-1-[(2-methyl-1-phenylpropyl)amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(2-methyl-1-phenylpropyl)amino]butan-2-ol
PubChem CID65108431
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-methyl-1-[(2-methyl-1-phenylpropyl)amino]butan-2-ol
SMILESCCC(C)(O)CNC(c1ccccc1)C(C)C
InChIInChI=1S/C15H25NO/c1-5-15(4,17)11-16-14(12(2)3)13-9-7-6-8-10-13/h6-10,12,14,16-17H,5,11H2,1-4H3
InChIKeyNBTIOHLUGGTOLG-UHFFFAOYSA-N
XLogP3.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-(2-methyl-1-phenylpropyl)butan-1-amine
CID 103460399
2-methyl-1-(1-phenylbutylamino)butan-2-ol
CID 65107747
2-methyl-1-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 43426280
4-[[(2-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol
CID 65108426
2-methyl-1-(1-phenylpropan-2-ylamino)butan-2-ol
CID 65108155
2,2-difluoro-3-[(2-methyl-1-phenylpropyl)amino]propan-1-ol
CID 104860585
4,4-dimethyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol
CID 103911194
2-methyl-1-[(4-methyl-4-phenylpentan-2-yl)amino]butan-2-ol
CID 65107916
(1R)-2-methyl-N-(2-methylpropyl)-1-phenylpropan-1-amine
CID 93027510
(2S)-1-[[(1S)-2-methyl-1-phenylpropyl]amino]propan-2-ol
CID 93288190
1-[(2-methyl-1-phenylpropyl)amino]propan-2-ol
CID 43776294
4,4-dimethyl-1-[(2-methyl-1-phenylpropyl)amino]pentan-2-ol
CID 103910841

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-methyl-1-phenylpropyl)amino]butan-2-ol?
The IUPAC name of 2-methyl-1-[(2-methyl-1-phenylpropyl)amino]butan-2-ol (CID 65108431) is 2-methyl-1-[(2-methyl-1-phenylpropyl)amino]butan-2-ol.
What is the SMILES notation for 2-methyl-1-[(2-methyl-1-phenylpropyl)amino]butan-2-ol?
The canonical SMILES for 2-methyl-1-[(2-methyl-1-phenylpropyl)amino]butan-2-ol is CCC(C)(O)CNC(c1ccccc1)C(C)C.
What is the InChIKey of 2-methyl-1-[(2-methyl-1-phenylpropyl)amino]butan-2-ol?
The InChIKey is NBTIOHLUGGTOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-15(4,17)11-16-14(12(2)3)13-9-7-6-8-10-13/h6-10,12,14,16-17H,5,11H2,1-4H3.
What are the key properties of 2-methyl-1-[(2-methyl-1-phenylpropyl)amino]butan-2-ol?
2-methyl-1-[(2-methyl-1-phenylpropyl)amino]butan-2-ol has a molecular weight of 235.37 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-methyl-1-phenylpropyl)amino]butan-2-ol is sourced from PubChem (CID 65108431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).