3-methyl-3-[(3-methyl-2-phenylbutyl)amino]butan-2-ol

C16H27NO — CID 107876430

IUPAC3-methyl-3-[(3-methyl-2-phenylbutyl)amino]butan-2-ol
SMILESCC(C)C(CNC(C)(C)C(C)O)c1ccccc1
InChIInChI=1S/C16H27NO/c1-12(2)15(14-9-7-6-8-10-14)11-17-16(4,5)13(3)18/h6-10,12-13,15,17-18H,11H2,1-5H3
InChIKeyXAPAMFQVRCBQKO-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.18
Rot. Bonds6

About 3-methyl-3-[(3-methyl-2-phenylbutyl)amino]butan-2-ol

3-methyl-3-[(3-methyl-2-phenylbutyl)amino]butan-2-ol (PubChem CID 107876430) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-methyl-3-[(3-methyl-2-phenylbutyl)amino]butan-2-ol.

Molecular Properties

Compound Name3-methyl-3-[(3-methyl-2-phenylbutyl)amino]butan-2-ol
PubChem CID107876430
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name3-methyl-3-[(3-methyl-2-phenylbutyl)amino]butan-2-ol
SMILESCC(C)C(CNC(C)(C)C(C)O)c1ccccc1
InChIInChI=1S/C16H27NO/c1-12(2)15(14-9-7-6-8-10-14)11-17-16(4,5)13(3)18/h6-10,12-13,15,17-18H,11H2,1-5H3
InChIKeyXAPAMFQVRCBQKO-UHFFFAOYSA-N
XLogP3.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[(3-methyl-2-phenylbutyl)amino]butan-1-ol
CID 107876200
N-(3-methyl-2-phenylbutyl)hydroxylamine
CID 15169464
2-(2,2-diphenylethylamino)-2-methyl-1-phenylpropan-1-ol
CID 12570790
1-[(3-methyl-2-phenylbutyl)amino]butan-2-ol
CID 104952529
2-amino-N-(3-methyl-2-phenylbutyl)-2-phenylpropanamide;hydrochloride
CID 120589227
1-(2,2-dimethylpropyl)-3-(3-methyl-2-phenylbutyl)urea
CID 112840322
2,2-dimethyl-N-(3-methyl-2-phenylbutyl)butan-1-amine
CID 107876458
2-methyl-N-(3-methyl-2-phenylbutyl)aniline
CID 107875833
N-methyl-2-[(3-methyl-2-phenylbutyl)amino]acetamide
CID 107875908
1-tert-butyl-2-methyl-3-(3-methyl-2-phenylbutyl)guanidine;hydroiodide
CID 110966825
N-(3-methyl-2-phenylbutyl)-2-methylsulfanylaniline
CID 107875943
[3-[(3-methyl-2-phenylbutyl)amino]phenyl]methanol
CID 107875961

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(3-methyl-2-phenylbutyl)amino]butan-2-ol?
The IUPAC name of 3-methyl-3-[(3-methyl-2-phenylbutyl)amino]butan-2-ol (CID 107876430) is 3-methyl-3-[(3-methyl-2-phenylbutyl)amino]butan-2-ol.
What is the SMILES notation for 3-methyl-3-[(3-methyl-2-phenylbutyl)amino]butan-2-ol?
The canonical SMILES for 3-methyl-3-[(3-methyl-2-phenylbutyl)amino]butan-2-ol is CC(C)C(CNC(C)(C)C(C)O)c1ccccc1.
What is the InChIKey of 3-methyl-3-[(3-methyl-2-phenylbutyl)amino]butan-2-ol?
The InChIKey is XAPAMFQVRCBQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-12(2)15(14-9-7-6-8-10-14)11-17-16(4,5)13(3)18/h6-10,12-13,15,17-18H,11H2,1-5H3.
What are the key properties of 3-methyl-3-[(3-methyl-2-phenylbutyl)amino]butan-2-ol?
3-methyl-3-[(3-methyl-2-phenylbutyl)amino]butan-2-ol has a molecular weight of 249.40 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(3-methyl-2-phenylbutyl)amino]butan-2-ol is sourced from PubChem (CID 107876430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).