1-(4-tert-butylanilino)-2-phenylpropan-2-ol

C19H25NO — CID 62373659

IUPAC1-(4-tert-butylanilino)-2-phenylpropan-2-ol
SMILESCC(C)(C)c1ccc(NCC(C)(O)c2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-18(2,3)15-10-12-17(13-11-15)20-14-19(4,21)16-8-6-5-7-9-16/h5-13,20-21H,14H2,1-4H3
InChIKeyAYWVQJPEVZDKJT-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.30
Rot. Bonds4

About 1-(4-tert-butylanilino)-2-phenylpropan-2-ol

1-(4-tert-butylanilino)-2-phenylpropan-2-ol (PubChem CID 62373659) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(4-tert-butylanilino)-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(4-tert-butylanilino)-2-phenylpropan-2-ol
PubChem CID62373659
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-(4-tert-butylanilino)-2-phenylpropan-2-ol
SMILESCC(C)(C)c1ccc(NCC(C)(O)c2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-18(2,3)15-10-12-17(13-11-15)20-14-19(4,21)16-8-6-5-7-9-16/h5-13,20-21H,14H2,1-4H3
InChIKeyAYWVQJPEVZDKJT-UHFFFAOYSA-N
XLogP4.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(2-hydroxy-2-phenylpropyl)amino]phenyl]acetamide
CID 62373656
1-(3,5-dichloroanilino)-2-phenylpropan-2-ol
CID 62373813
1-(methylamino)-2-phenylpropan-2-ol;palladium;tetrahydrochloride
CID 173355754
2-phenyl-1-(pyrrol-1-ylamino)propan-2-ol
CID 79101039
2-(4-methoxyanilino)-1,1-diphenylethanol
CID 101160453
2-(4-tert-butylphenyl)-1-(ethylamino)propan-2-ol
CID 62773195
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
1-(2-hydroxy-2-phenylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 121112096
1-(4-tert-butylphenyl)-3-(2-methyl-2-phenylpropyl)urea
CID 113213276
CID 171375456
CID 171375456
N-[(4-tert-butylphenyl)methyl]aniline
CID 15903167
1-(2-methoxyanilino)-2-phenylpropan-2-ol
CID 62374822

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylanilino)-2-phenylpropan-2-ol?
The IUPAC name of 1-(4-tert-butylanilino)-2-phenylpropan-2-ol (CID 62373659) is 1-(4-tert-butylanilino)-2-phenylpropan-2-ol.
What is the SMILES notation for 1-(4-tert-butylanilino)-2-phenylpropan-2-ol?
The canonical SMILES for 1-(4-tert-butylanilino)-2-phenylpropan-2-ol is CC(C)(C)c1ccc(NCC(C)(O)c2ccccc2)cc1.
What is the InChIKey of 1-(4-tert-butylanilino)-2-phenylpropan-2-ol?
The InChIKey is AYWVQJPEVZDKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-18(2,3)15-10-12-17(13-11-15)20-14-19(4,21)16-8-6-5-7-9-16/h5-13,20-21H,14H2,1-4H3.
What are the key properties of 1-(4-tert-butylanilino)-2-phenylpropan-2-ol?
1-(4-tert-butylanilino)-2-phenylpropan-2-ol has a molecular weight of 283.42 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylanilino)-2-phenylpropan-2-ol is sourced from PubChem (CID 62373659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).