1-(tert-butylamino)-2-(4-cyclobutylphenyl)propan-2-ol

C17H27NO — CID 116507022

IUPAC1-(tert-butylamino)-2-(4-cyclobutylphenyl)propan-2-ol
SMILESCC(C)(C)NCC(C)(O)c1ccc(C2CCC2)cc1
InChIInChI=1S/C17H27NO/c1-16(2,3)18-12-17(4,19)15-10-8-14(9-11-15)13-6-5-7-13/h8-11,13,18-19H,5-7,12H2,1-4H3
InChIKeyJMAJMSLAIVTWTP-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.55
Rot. Bonds4

About 1-(tert-butylamino)-2-(4-cyclobutylphenyl)propan-2-ol

1-(tert-butylamino)-2-(4-cyclobutylphenyl)propan-2-ol (PubChem CID 116507022) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(tert-butylamino)-2-(4-cyclobutylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-2-(4-cyclobutylphenyl)propan-2-ol
PubChem CID116507022
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(tert-butylamino)-2-(4-cyclobutylphenyl)propan-2-ol
SMILESCC(C)(C)NCC(C)(O)c1ccc(C2CCC2)cc1
InChIInChI=1S/C17H27NO/c1-16(2,3)18-12-17(4,19)15-10-8-14(9-11-15)13-6-5-7-13/h8-11,13,18-19H,5-7,12H2,1-4H3
InChIKeyJMAJMSLAIVTWTP-UHFFFAOYSA-N
XLogP3.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-cyclobutylphenyl)-1-(cyclopropylamino)propan-2-ol
CID 116507021
2-(4-cyclobutylphenyl)butan-2-ol
CID 116505233
1-amino-2-(4-cyclobutylphenyl)propan-2-ol
CID 116505464
2-(4-cyclobutylphenyl)-1-cyclopropylpropan-2-ol
CID 116505508
2-(4-cyclobutylphenyl)-3,3-dimethylbutan-2-ol
CID 116505450
2-(4-cyclobutylphenyl)-2-hydroxypropanal
CID 116505401
2-(4-cyclobutylphenyl)-4,4-dimethoxybutan-2-ol
CID 116505399
4-[1-(4-cyclobutylphenyl)-1-hydroxyethyl]phenol
CID 116505479
1-cyclohexyl-4-(2-hydroperoxypropan-2-yl)benzene
CID 24843348
1-(4-cyclopropylphenyl)ethane-1,1-diol
CID 91219710
1-(tert-butylamino)-2-(3-cyclopropyloxyphenyl)propan-2-ol
CID 114523447
1-(tert-butylamino)-2-(4-ethoxyphenyl)propan-2-ol
CID 62773212

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-2-(4-cyclobutylphenyl)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-2-(4-cyclobutylphenyl)propan-2-ol (CID 116507022) is 1-(tert-butylamino)-2-(4-cyclobutylphenyl)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-2-(4-cyclobutylphenyl)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-2-(4-cyclobutylphenyl)propan-2-ol is CC(C)(C)NCC(C)(O)c1ccc(C2CCC2)cc1.
What is the InChIKey of 1-(tert-butylamino)-2-(4-cyclobutylphenyl)propan-2-ol?
The InChIKey is JMAJMSLAIVTWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-16(2,3)18-12-17(4,19)15-10-8-14(9-11-15)13-6-5-7-13/h8-11,13,18-19H,5-7,12H2,1-4H3.
What are the key properties of 1-(tert-butylamino)-2-(4-cyclobutylphenyl)propan-2-ol?
1-(tert-butylamino)-2-(4-cyclobutylphenyl)propan-2-ol has a molecular weight of 261.41 g/mol, XLogP of 3.55, 4 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-cyclobutylphenyl)propan-2-ol is sourced from PubChem (CID 116507022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).