N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]hydroxylamine

C12H18N2O — CID 82610599

IUPACN-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]hydroxylamine
SMILESONCc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C12H18N2O/c15-13-9-11-3-5-12(6-4-11)10-14-7-1-2-8-14/h3-6,13,15H,1-2,7-10H2
InChIKeyHOBJWFVMYNLQJS-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.76
Rot. Bonds4

About N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]hydroxylamine

N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]hydroxylamine (PubChem CID 82610599) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]hydroxylamine
PubChem CID82610599
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]hydroxylamine
SMILESONCc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C12H18N2O/c15-13-9-11-3-5-12(6-4-11)10-14-7-1-2-8-14/h3-6,13,15H,1-2,7-10H2
InChIKeyHOBJWFVMYNLQJS-UHFFFAOYSA-N
XLogP1.76
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.76
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-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine
CID 117318560
[4-(pyrrolidin-1-ylmethyl)phenyl]methylhydrazine
CID 53275144
[4-(piperidin-1-ylmethyl)phenyl]methylhydrazine
CID 53275153
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]propan-2-amine
CID 62438547
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]hydroxylamine
CID 117314853
N-benzyl-1-phenylmethanamine;1-benzylpiperidine
CID 123620397
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 55069752
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(methylamino)acetamide
CID 120704106
1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
1-amino-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119835798

Frequently Asked Questions

What is the IUPAC name of N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]hydroxylamine?
The IUPAC name of N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]hydroxylamine (CID 82610599) is N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]hydroxylamine is ONCc1ccc(CN2CCCC2)cc1.
What is the InChIKey of N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]hydroxylamine?
The InChIKey is HOBJWFVMYNLQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c15-13-9-11-3-5-12(6-4-11)10-14-7-1-2-8-14/h3-6,13,15H,1-2,7-10H2.
What are the key properties of N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]hydroxylamine?
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]hydroxylamine has a molecular weight of 206.29 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 82610599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).