N-[[4-(3,3-dimethylpentoxy)phenyl]methyl]hydroxylamine

C14H23NO2 — CID 22368676

IUPACN-[[4-(3,3-dimethylpentoxy)phenyl]methyl]hydroxylamine
SMILESCCC(C)(C)CCOc1ccc(CNO)cc1
InChIInChI=1S/C14H23NO2/c1-4-14(2,3)9-10-17-13-7-5-12(6-8-13)11-15-16/h5-8,15-16H,4,9-11H2,1-3H3
InChIKeyDMPFDCVKMGJKEJ-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.37
Rot. Bonds7

About N-[[4-(3,3-dimethylpentoxy)phenyl]methyl]hydroxylamine

N-[[4-(3,3-dimethylpentoxy)phenyl]methyl]hydroxylamine (PubChem CID 22368676) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[[4-(3,3-dimethylpentoxy)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[4-(3,3-dimethylpentoxy)phenyl]methyl]hydroxylamine
PubChem CID22368676
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[[4-(3,3-dimethylpentoxy)phenyl]methyl]hydroxylamine
SMILESCCC(C)(C)CCOc1ccc(CNO)cc1
InChIInChI=1S/C14H23NO2/c1-4-14(2,3)9-10-17-13-7-5-12(6-8-13)11-15-16/h5-8,15-16H,4,9-11H2,1-3H3
InChIKeyDMPFDCVKMGJKEJ-UHFFFAOYSA-N
XLogP3.37
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.37
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

N-[(4-octoxyphenyl)methyl]hydroxylamine
CID 22368623
2,2-dimethyl-N-[(4-propoxyphenyl)methyl]butan-1-amine
CID 113242961
N-[[4-(4,4,4-trifluorobutoxy)phenyl]methyl]ethanamine
CID 115513082
N-[[4-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine
CID 64553735
2-methyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol
CID 79360041
N-[[4-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methyl]ethanamine
CID 82959534
4-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol
CID 79360226
N-methyl-1-[4-[2-(2-methylbutan-2-yloxy)ethoxy]phenyl]methanamine
CID 55077757
4-(4-ethylphenoxy)-2-methylbutan-2-amine
CID 28917779
2,2-dimethyl-4-[4-(propylaminomethyl)phenoxy]butanenitrile
CID 65250110
3-[[4-(3,3-dimethylbutoxy)phenyl]methylamino]propanoic acid
CID 66853305
2-methyl-2-[(4-pentoxyphenyl)methylamino]propan-1-ol
CID 28725557

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,3-dimethylpentoxy)phenyl]methyl]hydroxylamine?
The IUPAC name of N-[[4-(3,3-dimethylpentoxy)phenyl]methyl]hydroxylamine (CID 22368676) is N-[[4-(3,3-dimethylpentoxy)phenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[4-(3,3-dimethylpentoxy)phenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[4-(3,3-dimethylpentoxy)phenyl]methyl]hydroxylamine is CCC(C)(C)CCOc1ccc(CNO)cc1.
What is the InChIKey of N-[[4-(3,3-dimethylpentoxy)phenyl]methyl]hydroxylamine?
The InChIKey is DMPFDCVKMGJKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-14(2,3)9-10-17-13-7-5-12(6-8-13)11-15-16/h5-8,15-16H,4,9-11H2,1-3H3.
What are the key properties of N-[[4-(3,3-dimethylpentoxy)phenyl]methyl]hydroxylamine?
N-[[4-(3,3-dimethylpentoxy)phenyl]methyl]hydroxylamine has a molecular weight of 237.34 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,3-dimethylpentoxy)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 22368676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).