2-methyl-2-[(4-propan-2-ylanilino)methyl]butan-1-ol

C15H25NO — CID 81411085

IUPAC2-methyl-2-[(4-propan-2-ylanilino)methyl]butan-1-ol
SMILESCCC(C)(CO)CNc1ccc(C(C)C)cc1
InChIInChI=1S/C15H25NO/c1-5-15(4,11-17)10-16-14-8-6-13(7-9-14)12(2)3/h6-9,12,16-17H,5,10-11H2,1-4H3
InChIKeyUZCWJUZQACGKJD-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.63
Rot. Bonds6

About 2-methyl-2-[(4-propan-2-ylanilino)methyl]butan-1-ol

2-methyl-2-[(4-propan-2-ylanilino)methyl]butan-1-ol (PubChem CID 81411085) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-methyl-2-[(4-propan-2-ylanilino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(4-propan-2-ylanilino)methyl]butan-1-ol
PubChem CID81411085
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-methyl-2-[(4-propan-2-ylanilino)methyl]butan-1-ol
SMILESCCC(C)(CO)CNc1ccc(C(C)C)cc1
InChIInChI=1S/C15H25NO/c1-5-15(4,11-17)10-16-14-8-6-13(7-9-14)12(2)3/h6-9,12,16-17H,5,10-11H2,1-4H3
InChIKeyUZCWJUZQACGKJD-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-[(dimethylamino)methyl]anilino]methyl]-2-methylbutan-1-ol
CID 81413541
4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide
CID 81412295
[4-[1-[[2-(hydroxymethyl)-2-methylbutyl]amino]ethyl]phenyl]urea
CID 81418585
2-methyl-2-[(4-morpholin-4-ylanilino)methyl]butan-1-ol
CID 81411111
2-[(4-cyclopentylsulfanylanilino)methyl]-2-methylbutan-1-ol
CID 81412765
2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-2-methylbutan-1-ol
CID 81413581
N-cyclopropyl-4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide
CID 81413351
2-[(3,5-dimethoxyanilino)methyl]-2-methylbutan-1-ol
CID 81412194
1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 71359938
CID 59694605
CID 59694605
2-fluoro-5-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzonitrile
CID 81419834
N-ethyl-2-methyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 63509011

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(4-propan-2-ylanilino)methyl]butan-1-ol?
The IUPAC name of 2-methyl-2-[(4-propan-2-ylanilino)methyl]butan-1-ol (CID 81411085) is 2-methyl-2-[(4-propan-2-ylanilino)methyl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[(4-propan-2-ylanilino)methyl]butan-1-ol?
The canonical SMILES for 2-methyl-2-[(4-propan-2-ylanilino)methyl]butan-1-ol is CCC(C)(CO)CNc1ccc(C(C)C)cc1.
What is the InChIKey of 2-methyl-2-[(4-propan-2-ylanilino)methyl]butan-1-ol?
The InChIKey is UZCWJUZQACGKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-15(4,11-17)10-16-14-8-6-13(7-9-14)12(2)3/h6-9,12,16-17H,5,10-11H2,1-4H3.
What are the key properties of 2-methyl-2-[(4-propan-2-ylanilino)methyl]butan-1-ol?
2-methyl-2-[(4-propan-2-ylanilino)methyl]butan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(4-propan-2-ylanilino)methyl]butan-1-ol is sourced from PubChem (CID 81411085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).