N-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]hydroxylamine

C13H19NO2 — CID 117316662

IUPACN-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]hydroxylamine
SMILESCc1cc(C)c(OCC2CC2)c(CNO)c1
InChIInChI=1S/C13H19NO2/c1-9-5-10(2)13(12(6-9)7-14-15)16-8-11-3-4-11/h5-6,11,14-15H,3-4,7-8H2,1-2H3
InChIKeyRVSBCMRPCANMFP-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.57
Rot. Bonds5

About N-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]hydroxylamine

N-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]hydroxylamine (PubChem CID 117316662) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]hydroxylamine
PubChem CID117316662
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]hydroxylamine
SMILESCc1cc(C)c(OCC2CC2)c(CNO)c1
InChIInChI=1S/C13H19NO2/c1-9-5-10(2)13(12(6-9)7-14-15)16-8-11-3-4-11/h5-6,11,14-15H,3-4,7-8H2,1-2H3
InChIKeyRVSBCMRPCANMFP-UHFFFAOYSA-N
XLogP2.57
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.57
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-[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]-2-oxoacetic acid
CID 117373340
1-[[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropan-1-ol
CID 117405442
2-(cyclobutylmethoxy)-3,5-dimethylphenol
CID 84674450
2-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperidine
CID 117436647
1-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperazine
CID 117438814
N-[[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]methyl]propan-2-amine
CID 112620322
N-[[5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 115961722
N-[[3-bromo-2-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine
CID 59724543
4-[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]piperidine
CID 117402856
N-[[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]propan-2-amine
CID 43560086
N-[(2,3-dimethoxy-5-methylphenyl)methyl]hydroxylamine
CID 117287016
[5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methanol
CID 112621165

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]hydroxylamine?
The IUPAC name of N-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]hydroxylamine (CID 117316662) is N-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]hydroxylamine is Cc1cc(C)c(OCC2CC2)c(CNO)c1.
What is the InChIKey of N-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]hydroxylamine?
The InChIKey is RVSBCMRPCANMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-5-10(2)13(12(6-9)7-14-15)16-8-11-3-4-11/h5-6,11,14-15H,3-4,7-8H2,1-2H3.
What are the key properties of N-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]hydroxylamine?
N-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]hydroxylamine has a molecular weight of 221.30 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]hydroxylamine is sourced from PubChem (CID 117316662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).