2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol

C13H20ClNO — CID 445

IUPAC2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol
SMILESCC(NC(C)(C)C)C(O)c1cccc(Cl)c1
InChIInChI=1S/C13H20ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,12,15-16H,1-4H3
InChIKeyNDPTTXIBLSWNSF-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.15
Rot. Bonds3

About 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol

2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol (PubChem CID 445) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol
PubChem CID445
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol
SMILESCC(NC(C)(C)C)C(O)c1cccc(Cl)c1
InChIInChI=1S/C13H20ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,12,15-16H,1-4H3
InChIKeyNDPTTXIBLSWNSF-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol?
The IUPAC name of 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol (CID 445) is 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol.
What is the SMILES notation for 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol?
The canonical SMILES for 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol is CC(NC(C)(C)C)C(O)c1cccc(Cl)c1.
What is the InChIKey of 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol?
The InChIKey is NDPTTXIBLSWNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,12,15-16H,1-4H3.
What are the key properties of 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol?
2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol has a molecular weight of 241.76 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol is sourced from PubChem (CID 445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).