benzene;methanol;propan-2-amine

C10H19NO — CID 22281274

IUPACbenzene;methanol;propan-2-amine
SMILESCC(C)N.CO.c1ccccc1
InChIInChI=1S/C6H6.C3H9N.CH4O/c1-2-4-6-5-3-1;1-3(2)4;1-2/h1-6H;3H,4H2,1-2H3;2H,1H3
InChIKeySPKJJLKTRZPHCL-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.65
Rot. Bonds

About benzene;methanol;propan-2-amine

benzene;methanol;propan-2-amine (PubChem CID 22281274) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is benzene;methanol;propan-2-amine.

Molecular Properties

Compound Namebenzene;methanol;propan-2-amine
PubChem CID22281274
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Namebenzene;methanol;propan-2-amine
SMILESCC(C)N.CO.c1ccccc1
InChIInChI=1S/C6H6.C3H9N.CH4O/c1-2-4-6-5-3-1;1-3(2)4;1-2/h1-6H;3H,4H2,1-2H3;2H,1H3
InChIKeySPKJJLKTRZPHCL-UHFFFAOYSA-N
XLogP1.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzene;methanol;propan-2-amine?
The IUPAC name of benzene;methanol;propan-2-amine (CID 22281274) is benzene;methanol;propan-2-amine.
What is the SMILES notation for benzene;methanol;propan-2-amine?
The canonical SMILES for benzene;methanol;propan-2-amine is CC(C)N.CO.c1ccccc1.
What is the InChIKey of benzene;methanol;propan-2-amine?
The InChIKey is SPKJJLKTRZPHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C3H9N.CH4O/c1-2-4-6-5-3-1;1-3(2)4;1-2/h1-6H;3H,4H2,1-2H3;2H,1H3.
What are the key properties of benzene;methanol;propan-2-amine?
benzene;methanol;propan-2-amine has a molecular weight of 169.27 g/mol, XLogP of 1.65, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;methanol;propan-2-amine is sourced from PubChem (CID 22281274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).