O-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]hydroxylamine

C18H23NO2 — CID 54449973

IUPACO-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]hydroxylamine
SMILESCC(C)CCc1ccc(Oc2ccc(CON)cc2)cc1
InChIInChI=1S/C18H23NO2/c1-14(2)3-4-15-5-9-17(10-6-15)21-18-11-7-16(8-12-18)13-20-19/h5-12,14H,3-4,13,19H2,1-2H3
InChIKeyWUGGQJGZTNTWPK-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.46
Rot. Bonds7

About O-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]hydroxylamine

O-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]hydroxylamine (PubChem CID 54449973) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is O-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]hydroxylamine
PubChem CID54449973
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameO-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]hydroxylamine
SMILESCC(C)CCc1ccc(Oc2ccc(CON)cc2)cc1
InChIInChI=1S/C18H23NO2/c1-14(2)3-4-15-5-9-17(10-6-15)21-18-11-7-16(8-12-18)13-20-19/h5-12,14H,3-4,13,19H2,1-2H3
InChIKeyWUGGQJGZTNTWPK-UHFFFAOYSA-N
XLogP4.46
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(3-methylbutyl)phenoxy]phenol
CID 10199007
1-(3-methylbutyl)-4-(trifluoromethoxy)benzene
CID 129296221
4-[4-[3-[4-(4-aminophenoxy)phenyl]butyl]phenoxy]aniline
CID 18363730
methane;O-[(4-methoxyphenyl)methyl]hydroxylamine
CID 142048761
1-(2-methoxyethoxy)-4-(3-methylbutyl)benzene
CID 156727019
O-[[4-(1-fluoroethyl)phenyl]methyl]hydroxylamine
CID 117276742
4-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 43184619
2-[4-(3-methylbutoxy)phenyl]ethanamine
CID 16786544
2-amino-4-[4-(4-hydroxyphenoxy)phenyl]butanoic acid
CID 67114059
2-amino-6-fluoro-N-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66843134
2-amino-6-methyl-N-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66843703
1-methyl-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]benzene
CID 126542735

Frequently Asked Questions

What is the IUPAC name of O-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]hydroxylamine?
The IUPAC name of O-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]hydroxylamine (CID 54449973) is O-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]hydroxylamine is CC(C)CCc1ccc(Oc2ccc(CON)cc2)cc1.
What is the InChIKey of O-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]hydroxylamine?
The InChIKey is WUGGQJGZTNTWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14(2)3-4-15-5-9-17(10-6-15)21-18-11-7-16(8-12-18)13-20-19/h5-12,14H,3-4,13,19H2,1-2H3.
What are the key properties of O-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]hydroxylamine?
O-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]hydroxylamine has a molecular weight of 285.39 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]hydroxylamine is sourced from PubChem (CID 54449973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).