N-[[4-[4-(azetidin-1-yl)anilino]phenyl]methyl]hydroxylamine

C16H19N3O — CID 166062184

IUPACN-[[4-[4-(azetidin-1-yl)anilino]phenyl]methyl]hydroxylamine
SMILESONCc1ccc(Nc2ccc(N3CCC3)cc2)cc1
InChIInChI=1S/C16H19N3O/c20-17-12-13-2-4-14(5-3-13)18-15-6-8-16(9-7-15)19-10-1-11-19/h2-9,17-18,20H,1,10-12H2
InChIKeyXOGLLYCWORDUOE-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.12
Rot. Bonds5

About N-[[4-[4-(azetidin-1-yl)anilino]phenyl]methyl]hydroxylamine

N-[[4-[4-(azetidin-1-yl)anilino]phenyl]methyl]hydroxylamine (PubChem CID 166062184) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[[4-[4-(azetidin-1-yl)anilino]phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[4-[4-(azetidin-1-yl)anilino]phenyl]methyl]hydroxylamine
PubChem CID166062184
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[[4-[4-(azetidin-1-yl)anilino]phenyl]methyl]hydroxylamine
SMILESONCc1ccc(Nc2ccc(N3CCC3)cc2)cc1
InChIInChI=1S/C16H19N3O/c20-17-12-13-2-4-14(5-3-13)18-15-6-8-16(9-7-15)19-10-1-11-19/h2-9,17-18,20H,1,10-12H2
InChIKeyXOGLLYCWORDUOE-UHFFFAOYSA-N
XLogP3.12
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(4-piperidin-1-ylanilino)-2-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 166062623
N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 22081058
N-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methyl]hydroxylamine
CID 12965960
(4-pyrrolidin-1-ylphenyl)methylhydrazine
CID 22728051
N-benzyl-4-pyrrolidin-1-ylaniline
CID 918774
4-[(4-piperidin-1-ylanilino)methyl]aniline
CID 83949136
N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-1-amine
CID 83007159
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide
CID 112988748
2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43755063
N-[(4-methylphenyl)methyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109188702
2-chloro-4-[(4-pyrrolidin-1-ylphenyl)methylamino]phenol
CID 107678054
1-(4-fluorophenyl)-3-[(4-pyrrolidin-1-ylphenyl)methyl]thiourea
CID 100626443

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(azetidin-1-yl)anilino]phenyl]methyl]hydroxylamine?
The IUPAC name of N-[[4-[4-(azetidin-1-yl)anilino]phenyl]methyl]hydroxylamine (CID 166062184) is N-[[4-[4-(azetidin-1-yl)anilino]phenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[4-[4-(azetidin-1-yl)anilino]phenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[4-[4-(azetidin-1-yl)anilino]phenyl]methyl]hydroxylamine is ONCc1ccc(Nc2ccc(N3CCC3)cc2)cc1.
What is the InChIKey of N-[[4-[4-(azetidin-1-yl)anilino]phenyl]methyl]hydroxylamine?
The InChIKey is XOGLLYCWORDUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-17-12-13-2-4-14(5-3-13)18-15-6-8-16(9-7-15)19-10-1-11-19/h2-9,17-18,20H,1,10-12H2.
What are the key properties of N-[[4-[4-(azetidin-1-yl)anilino]phenyl]methyl]hydroxylamine?
N-[[4-[4-(azetidin-1-yl)anilino]phenyl]methyl]hydroxylamine has a molecular weight of 269.35 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(azetidin-1-yl)anilino]phenyl]methyl]hydroxylamine is sourced from PubChem (CID 166062184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).