3-amino-3-(3-methylphenyl)propan-1-ol

C10H15NO — CID 44890823

IUPAC3-amino-3-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(N)CCO)c1
InChIInChI=1S/C10H15NO/c1-8-3-2-4-9(7-8)10(11)5-6-12/h2-4,7,10,12H,5-6,11H2,1H3
InChIKeyQBUYRBXUFMJAEP-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.38
Rot. Bonds3

About 3-amino-3-(3-methylphenyl)propan-1-ol

3-amino-3-(3-methylphenyl)propan-1-ol (PubChem CID 44890823) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-amino-3-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(3-methylphenyl)propan-1-ol
PubChem CID44890823
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name3-amino-3-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(N)CCO)c1
InChIInChI=1S/C10H15NO/c1-8-3-2-4-9(7-8)10(11)5-6-12/h2-4,7,10,12H,5-6,11H2,1H3
InChIKeyQBUYRBXUFMJAEP-UHFFFAOYSA-N
XLogP1.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.38
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-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-3-(3-methylphenyl)propan-1-ol (CID 44890823) is 3-amino-3-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(3-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-3-(3-methylphenyl)propan-1-ol is Cc1cccc(C(N)CCO)c1.
What is the InChIKey of 3-amino-3-(3-methylphenyl)propan-1-ol?
The InChIKey is QBUYRBXUFMJAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8-3-2-4-9(7-8)10(11)5-6-12/h2-4,7,10,12H,5-6,11H2,1H3.
What are the key properties of 3-amino-3-(3-methylphenyl)propan-1-ol?
3-amino-3-(3-methylphenyl)propan-1-ol has a molecular weight of 165.24 g/mol, XLogP of 1.38, 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-methylphenyl)propan-1-ol is sourced from PubChem (CID 44890823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).