ethane;3-[1-(methylamino)propyl]phenol

C12H21NO — CID 143762212

IUPACethane;3-[1-(methylamino)propyl]phenol
SMILESCC.CCC(NC)c1cccc(O)c1
InChIInChI=1S/C10H15NO.C2H6/c1-3-10(11-2)8-5-4-6-9(12)7-8;1-2/h4-7,10-12H,3H2,1-2H3;1-2H3
InChIKeyPNIQCYLHFDLLRE-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.09
Rot. Bonds3

About ethane;3-[1-(methylamino)propyl]phenol

ethane;3-[1-(methylamino)propyl]phenol (PubChem CID 143762212) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is ethane;3-[1-(methylamino)propyl]phenol.

Molecular Properties

Compound Nameethane;3-[1-(methylamino)propyl]phenol
PubChem CID143762212
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Nameethane;3-[1-(methylamino)propyl]phenol
SMILESCC.CCC(NC)c1cccc(O)c1
InChIInChI=1S/C10H15NO.C2H6/c1-3-10(11-2)8-5-4-6-9(12)7-8;1-2/h4-7,10-12H,3H2,1-2H3;1-2H3
InChIKeyPNIQCYLHFDLLRE-UHFFFAOYSA-N
XLogP3.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-[1-(methylamino)propyl]phenol?
The IUPAC name of ethane;3-[1-(methylamino)propyl]phenol (CID 143762212) is ethane;3-[1-(methylamino)propyl]phenol.
What is the SMILES notation for ethane;3-[1-(methylamino)propyl]phenol?
The canonical SMILES for ethane;3-[1-(methylamino)propyl]phenol is CC.CCC(NC)c1cccc(O)c1.
What is the InChIKey of ethane;3-[1-(methylamino)propyl]phenol?
The InChIKey is PNIQCYLHFDLLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.C2H6/c1-3-10(11-2)8-5-4-6-9(12)7-8;1-2/h4-7,10-12H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;3-[1-(methylamino)propyl]phenol?
ethane;3-[1-(methylamino)propyl]phenol has a molecular weight of 195.31 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[1-(methylamino)propyl]phenol is sourced from PubChem (CID 143762212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).