1-[[3-(4-tert-butylphenyl)-2-methylpropyl]amino]propan-2-ol

C17H29NO — CID 139598047

IUPAC1-[[3-(4-tert-butylphenyl)-2-methylpropyl]amino]propan-2-ol
SMILESCC(O)CNCC(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NO/c1-13(11-18-12-14(2)19)10-15-6-8-16(9-7-15)17(3,4)5/h6-9,13-14,18-19H,10-12H2,1-5H3
InChIKeyYMTCNKNGFIGXIT-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.13
Rot. Bonds6

About 1-[[3-(4-tert-butylphenyl)-2-methylpropyl]amino]propan-2-ol

1-[[3-(4-tert-butylphenyl)-2-methylpropyl]amino]propan-2-ol (PubChem CID 139598047) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-[[3-(4-tert-butylphenyl)-2-methylpropyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[3-(4-tert-butylphenyl)-2-methylpropyl]amino]propan-2-ol
PubChem CID139598047
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-[[3-(4-tert-butylphenyl)-2-methylpropyl]amino]propan-2-ol
SMILESCC(O)CNCC(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NO/c1-13(11-18-12-14(2)19)10-15-6-8-16(9-7-15)17(3,4)5/h6-9,13-14,18-19H,10-12H2,1-5H3
InChIKeyYMTCNKNGFIGXIT-UHFFFAOYSA-N
XLogP3.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-tert-butylphenyl)-2-methylpropyl]amino]propan-2-ol?
The IUPAC name of 1-[[3-(4-tert-butylphenyl)-2-methylpropyl]amino]propan-2-ol (CID 139598047) is 1-[[3-(4-tert-butylphenyl)-2-methylpropyl]amino]propan-2-ol.
What is the SMILES notation for 1-[[3-(4-tert-butylphenyl)-2-methylpropyl]amino]propan-2-ol?
The canonical SMILES for 1-[[3-(4-tert-butylphenyl)-2-methylpropyl]amino]propan-2-ol is CC(O)CNCC(C)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-[[3-(4-tert-butylphenyl)-2-methylpropyl]amino]propan-2-ol?
The InChIKey is YMTCNKNGFIGXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-13(11-18-12-14(2)19)10-15-6-8-16(9-7-15)17(3,4)5/h6-9,13-14,18-19H,10-12H2,1-5H3.
What are the key properties of 1-[[3-(4-tert-butylphenyl)-2-methylpropyl]amino]propan-2-ol?
1-[[3-(4-tert-butylphenyl)-2-methylpropyl]amino]propan-2-ol has a molecular weight of 263.43 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 1-[[3-(4-tert-butylphenyl)-2-methylpropyl]amino]propan-2-ol is sourced from PubChem (CID 139598047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).