N,N-dihydroxy-4-methyl-2-propylaniline

C10H15NO2 — CID 23084353

IUPACN,N-dihydroxy-4-methyl-2-propylaniline
SMILESCCCc1cc(C)ccc1N(O)O
InChIInChI=1S/C10H15NO2/c1-3-4-9-7-8(2)5-6-10(9)11(12)13/h5-7,12-13H,3-4H2,1-2H3
InChIKeyOXCNCSRAUQIXSP-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.53
Rot. Bonds3

About N,N-dihydroxy-4-methyl-2-propylaniline

N,N-dihydroxy-4-methyl-2-propylaniline (PubChem CID 23084353) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N,N-dihydroxy-4-methyl-2-propylaniline.

Molecular Properties

Compound NameN,N-dihydroxy-4-methyl-2-propylaniline
PubChem CID23084353
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN,N-dihydroxy-4-methyl-2-propylaniline
SMILESCCCc1cc(C)ccc1N(O)O
InChIInChI=1S/C10H15NO2/c1-3-4-9-7-8(2)5-6-10(9)11(12)13/h5-7,12-13H,3-4H2,1-2H3
InChIKeyOXCNCSRAUQIXSP-UHFFFAOYSA-N
XLogP2.53
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N,N-dihydroxy-4-methylaniline;hydrochloride
CID 175909559
2-[(Z)-but-2-en-2-yl]-4-methyl-1-propylbenzene
CID 177145999
N-(2-ethyl-5-methylphenyl)-N-methylhydroxylamine
CID 145069260
1,4-bis(4-methylphenyl)-2,5-dipropylbenzene
CID 59821666
1-methyl-3-(4-methyl-2-propylphenyl)urea
CID 151994223
N-[(2-butyl-4-methylphenyl)methyl]ethanamine
CID 106659184
5-methyl-2-propylbenzaldehyde
CID 23586663
4-(4-methylphenyl)-1,2-dipropylbenzene
CID 159068290
2-ethyl-4-methyl-6-propylphenol
CID 66879780
1,2-diethyl-4-methylbenzene;methane
CID 174446118
N,2-diethyl-4-methylaniline
CID 23348946
but-1-ene;2,4-dimethyl-1-propylbenzene;ethane
CID 165130204

Frequently Asked Questions

What is the IUPAC name of N,N-dihydroxy-4-methyl-2-propylaniline?
The IUPAC name of N,N-dihydroxy-4-methyl-2-propylaniline (CID 23084353) is N,N-dihydroxy-4-methyl-2-propylaniline.
What is the SMILES notation for N,N-dihydroxy-4-methyl-2-propylaniline?
The canonical SMILES for N,N-dihydroxy-4-methyl-2-propylaniline is CCCc1cc(C)ccc1N(O)O.
What is the InChIKey of N,N-dihydroxy-4-methyl-2-propylaniline?
The InChIKey is OXCNCSRAUQIXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-4-9-7-8(2)5-6-10(9)11(12)13/h5-7,12-13H,3-4H2,1-2H3.
What are the key properties of N,N-dihydroxy-4-methyl-2-propylaniline?
N,N-dihydroxy-4-methyl-2-propylaniline has a molecular weight of 181.23 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihydroxy-4-methyl-2-propylaniline is sourced from PubChem (CID 23084353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).