1-(tert-butylamino)-2-(2-chlorophenyl)propan-2-ol

C13H20ClNO — CID 62773407

IUPAC1-(tert-butylamino)-2-(2-chlorophenyl)propan-2-ol
SMILESCC(C)(C)NCC(C)(O)c1ccccc1Cl
InChIInChI=1S/C13H20ClNO/c1-12(2,3)15-9-13(4,16)10-7-5-6-8-11(10)14/h5-8,15-16H,9H2,1-4H3
InChIKeyQEQUPLJCCFCLTM-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.94
Rot. Bonds3

About 1-(tert-butylamino)-2-(2-chlorophenyl)propan-2-ol

1-(tert-butylamino)-2-(2-chlorophenyl)propan-2-ol (PubChem CID 62773407) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 1-(tert-butylamino)-2-(2-chlorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-2-(2-chlorophenyl)propan-2-ol
PubChem CID62773407
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name1-(tert-butylamino)-2-(2-chlorophenyl)propan-2-ol
SMILESCC(C)(C)NCC(C)(O)c1ccccc1Cl
InChIInChI=1S/C13H20ClNO/c1-12(2,3)15-9-13(4,16)10-7-5-6-8-11(10)14/h5-8,15-16H,9H2,1-4H3
InChIKeyQEQUPLJCCFCLTM-UHFFFAOYSA-N
XLogP2.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 62774382
2-(4-bromo-2-chlorophenyl)-1-(tert-butylamino)propan-2-ol
CID 82780730
2-(2-chlorophenyl)-1-(pyrimidin-2-ylamino)propan-2-ol
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4-amino-2-(2-chlorophenyl)butan-2-ol;hydrochloride
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2-(2-chlorophenyl)-1-phenylpropan-2-ol
CID 43810130
2-(2-chlorophenyl)-4-methylpentan-2-ol
CID 43810129
2-(2-chlorophenyl)propan-2-ol
CID 12759846
N-[2-(2-chlorophenyl)-2-hydroxypropyl]-2-cyano-2-methylpropanamide
CID 86793674
1-tert-butyl-2-[2-(2-chlorophenyl)-2-hydroxypropyl]guanidine;hydroiodide
CID 110061971
1-(tert-butylamino)-3-(2,6-dichlorophenyl)-2-methylpropan-2-ol
CID 66038942
2-(2-chlorophenyl)-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propan-2-ol
CID 120972167
N-[(2R)-2-(2-chlorophenyl)-2-hydroxypropyl]-1-hydroxycyclopentane-1-carboxamide
CID 99702505

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-2-(2-chlorophenyl)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-2-(2-chlorophenyl)propan-2-ol (CID 62773407) is 1-(tert-butylamino)-2-(2-chlorophenyl)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-2-(2-chlorophenyl)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-2-(2-chlorophenyl)propan-2-ol is CC(C)(C)NCC(C)(O)c1ccccc1Cl.
What is the InChIKey of 1-(tert-butylamino)-2-(2-chlorophenyl)propan-2-ol?
The InChIKey is QEQUPLJCCFCLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-12(2,3)15-9-13(4,16)10-7-5-6-8-11(10)14/h5-8,15-16H,9H2,1-4H3.
What are the key properties of 1-(tert-butylamino)-2-(2-chlorophenyl)propan-2-ol?
1-(tert-butylamino)-2-(2-chlorophenyl)propan-2-ol has a molecular weight of 241.76 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-2-(2-chlorophenyl)propan-2-ol is sourced from PubChem (CID 62773407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).