N-[[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]methyl]hydroxylamine

C12H17ClN2O — CID 117354255

IUPACN-[[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]methyl]hydroxylamine
SMILESCN1CCC(c2ccc(CNO)cc2Cl)C1
InChIInChI=1S/C12H17ClN2O/c1-15-5-4-10(8-15)11-3-2-9(7-14-16)6-12(11)13/h2-3,6,10,14,16H,4-5,7-8H2,1H3
InChIKeyUWNXMHZNQHRHSF-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.24
Rot. Bonds3

About N-[[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]methyl]hydroxylamine

N-[[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]methyl]hydroxylamine (PubChem CID 117354255) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is N-[[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]methyl]hydroxylamine
PubChem CID117354255
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC NameN-[[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]methyl]hydroxylamine
SMILESCN1CCC(c2ccc(CNO)cc2Cl)C1
InChIInChI=1S/C12H17ClN2O/c1-15-5-4-10(8-15)11-3-2-9(7-14-16)6-12(11)13/h2-3,6,10,14,16H,4-5,7-8H2,1H3
InChIKeyUWNXMHZNQHRHSF-UHFFFAOYSA-N
XLogP2.24
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.24
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-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-N-methylethanamine
CID 117384986
2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]ethanol
CID 117390228
2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]piperidine
CID 117447151
3-chloro-4-(1-methylpiperidin-4-yl)phenol
CID 84690225
3-(3,4-dichlorophenyl)-1-methylpyrrolidine
CID 67174764
ethyl 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-2-hydroxyacetate
CID 117479380
3-(3-chloro-2-fluorophenyl)-1-methylpyrrolidine
CID 67173873
1-(3-chloro-4-cyclopropylphenyl)-N-methoxymethanamine
CID 117302343
2-[4-(1-methylpyrrolidin-3-yl)phenyl]ethanol
CID 84778677
3-methyl-4-(1-methylpyrrolidin-3-yl)phenol
CID 156814350
N-[(3-chloro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine
CID 106816236
2-chloro-1-cyclopropyl-4-ethylbenzene
CID 138612116

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]methyl]hydroxylamine?
The IUPAC name of N-[[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]methyl]hydroxylamine (CID 117354255) is N-[[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]methyl]hydroxylamine is CN1CCC(c2ccc(CNO)cc2Cl)C1.
What is the InChIKey of N-[[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]methyl]hydroxylamine?
The InChIKey is UWNXMHZNQHRHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-15-5-4-10(8-15)11-3-2-9(7-14-16)6-12(11)13/h2-3,6,10,14,16H,4-5,7-8H2,1H3.
What are the key properties of N-[[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]methyl]hydroxylamine?
N-[[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]methyl]hydroxylamine has a molecular weight of 240.73 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117354255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).