1-(tert-butylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol

C17H29NO — CID 62773408

IUPAC1-(tert-butylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol
SMILESCC(C)Cc1ccc(C(C)(O)CNC(C)(C)C)cc1
InChIInChI=1S/C17H29NO/c1-13(2)11-14-7-9-15(10-8-14)17(6,19)12-18-16(3,4)5/h7-10,13,18-19H,11-12H2,1-6H3
InChIKeyHSHWJMPOLPJHET-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.48
Rot. Bonds5

About 1-(tert-butylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol

1-(tert-butylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol (PubChem CID 62773408) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(tert-butylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol
PubChem CID62773408
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-(tert-butylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol
SMILESCC(C)Cc1ccc(C(C)(O)CNC(C)(C)C)cc1
InChIInChI=1S/C17H29NO/c1-13(2)11-14-7-9-15(10-8-14)17(6,19)12-18-16(3,4)5/h7-10,13,18-19H,11-12H2,1-6H3
InChIKeyHSHWJMPOLPJHET-UHFFFAOYSA-N
XLogP3.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[4-(2-methylpropyl)phenyl]pentan-2-ol
CID 97294137
2-[4-(2-methylpropyl)phenyl]butan-2-ol
CID 91656197
1-(2-methoxyethylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol
CID 62775363
1,1-difluoro-2-[4-(2-methylpropyl)phenyl]propan-2-ol
CID 80604999
2-methyl-1-[1-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-ol
CID 63239146
N-methyl-2-[4-(2-methylpropyl)phenyl]propan-2-amine
CID 82283210
1-(tert-butylamino)-2-(4-ethoxyphenyl)propan-2-ol
CID 62773212
2-(ethylamino)-2-[4-(2-methylpropyl)phenyl]propan-1-ol
CID 61050325
1-(2-iodopropan-2-yl)-4-(2-methylpropyl)benzene
CID 143199593
2-[[2-methyl-2-[4-(2-methylpropyl)phenyl]propyl]amino]ethanol
CID 115216500
[2-hydroxy-2-[4-(2-methylpropyl)phenyl]propyl] acetate
CID 10264130
2-[3-(2-methylpropyl)phenyl]-1-(propan-2-ylamino)propan-2-ol
CID 116546306

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol (CID 62773408) is 1-(tert-butylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol is CC(C)Cc1ccc(C(C)(O)CNC(C)(C)C)cc1.
What is the InChIKey of 1-(tert-butylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol?
The InChIKey is HSHWJMPOLPJHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-13(2)11-14-7-9-15(10-8-14)17(6,19)12-18-16(3,4)5/h7-10,13,18-19H,11-12H2,1-6H3.
What are the key properties of 1-(tert-butylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol?
1-(tert-butylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol has a molecular weight of 263.43 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol is sourced from PubChem (CID 62773408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).