N,2-dimethylpropan-1-amine;phenol

C11H19NO — CID 174856624

IUPACN,2-dimethylpropan-1-amine;phenol
SMILESCNCC(C)C.Oc1ccccc1
InChIInChI=1S/C6H6O.C5H13N/c7-6-4-2-1-3-5-6;1-5(2)4-6-3/h1-5,7H;5-6H,4H2,1-3H3
InChIKeyLAVDSKIAZNNFJI-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.25
Rot. Bonds2

About N,2-dimethylpropan-1-amine;phenol

N,2-dimethylpropan-1-amine;phenol (PubChem CID 174856624) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N,2-dimethylpropan-1-amine;phenol.

Molecular Properties

Compound NameN,2-dimethylpropan-1-amine;phenol
PubChem CID174856624
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN,2-dimethylpropan-1-amine;phenol
SMILESCNCC(C)C.Oc1ccccc1
InChIInChI=1S/C6H6O.C5H13N/c7-6-4-2-1-3-5-6;1-5(2)4-6-3/h1-5,7H;5-6H,4H2,1-3H3
InChIKeyLAVDSKIAZNNFJI-UHFFFAOYSA-N
XLogP2.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylpropan-1-ol;phenol
CID 158335156
bis(N-methylmethanamine);phenol
CID 159670069
1,2-dimethylhydrazine;phenol
CID 160935611
CID 67496590
CID 67496590
phenol;tris(2-methylpropyl)alumane
CID 174801249
phenol;propan-2-ylphosphane
CID 142173645
benzene;phenol;propane
CID 157176896
bis(dimethyltin);phenol
CID 4961565
3-methylbutan-1-ol;phenol;ytterbium
CID 139987500
ethane;phenol
CID 161156308
ethane;methylhydrazine;phenol
CID 90762479
ethane-1,1-dithiol;ethane-1,2-dithiol;phenol
CID 158840178

Frequently Asked Questions

What is the IUPAC name of N,2-dimethylpropan-1-amine;phenol?
The IUPAC name of N,2-dimethylpropan-1-amine;phenol (CID 174856624) is N,2-dimethylpropan-1-amine;phenol.
What is the SMILES notation for N,2-dimethylpropan-1-amine;phenol?
The canonical SMILES for N,2-dimethylpropan-1-amine;phenol is CNCC(C)C.Oc1ccccc1.
What is the InChIKey of N,2-dimethylpropan-1-amine;phenol?
The InChIKey is LAVDSKIAZNNFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C5H13N/c7-6-4-2-1-3-5-6;1-5(2)4-6-3/h1-5,7H;5-6H,4H2,1-3H3.
What are the key properties of N,2-dimethylpropan-1-amine;phenol?
N,2-dimethylpropan-1-amine;phenol has a molecular weight of 181.28 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylpropan-1-amine;phenol is sourced from PubChem (CID 174856624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).