3-amino-3-(3,4-dimethylphenyl)butan-1-ol

C12H19NO — CID 65239742

IUPAC3-amino-3-(3,4-dimethylphenyl)butan-1-ol
SMILESCc1ccc(C(C)(N)CCO)cc1C
InChIInChI=1S/C12H19NO/c1-9-4-5-11(8-10(9)2)12(3,13)6-7-14/h4-5,8,14H,6-7,13H2,1-3H3
InChIKeyYBDRFBRMXFFEOL-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.86
Rot. Bonds3

About 3-amino-3-(3,4-dimethylphenyl)butan-1-ol

3-amino-3-(3,4-dimethylphenyl)butan-1-ol (PubChem CID 65239742) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-amino-3-(3,4-dimethylphenyl)butan-1-ol.

Molecular Properties

Compound Name3-amino-3-(3,4-dimethylphenyl)butan-1-ol
PubChem CID65239742
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-amino-3-(3,4-dimethylphenyl)butan-1-ol
SMILESCc1ccc(C(C)(N)CCO)cc1C
InChIInChI=1S/C12H19NO/c1-9-4-5-11(8-10(9)2)12(3,13)6-7-14/h4-5,8,14H,6-7,13H2,1-3H3
InChIKeyYBDRFBRMXFFEOL-UHFFFAOYSA-N
XLogP1.86
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3,4-dimethylphenyl)butan-1-ol?
The IUPAC name of 3-amino-3-(3,4-dimethylphenyl)butan-1-ol (CID 65239742) is 3-amino-3-(3,4-dimethylphenyl)butan-1-ol.
What is the SMILES notation for 3-amino-3-(3,4-dimethylphenyl)butan-1-ol?
The canonical SMILES for 3-amino-3-(3,4-dimethylphenyl)butan-1-ol is Cc1ccc(C(C)(N)CCO)cc1C.
What is the InChIKey of 3-amino-3-(3,4-dimethylphenyl)butan-1-ol?
The InChIKey is YBDRFBRMXFFEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9-4-5-11(8-10(9)2)12(3,13)6-7-14/h4-5,8,14H,6-7,13H2,1-3H3.
What are the key properties of 3-amino-3-(3,4-dimethylphenyl)butan-1-ol?
3-amino-3-(3,4-dimethylphenyl)butan-1-ol has a molecular weight of 193.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3,4-dimethylphenyl)butan-1-ol is sourced from PubChem (CID 65239742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).