N-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]hydroxylamine

C11H15ClN2O — CID 143565225

IUPACN-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]hydroxylamine
SMILESONc1ccc(CN2CCCC2)c(Cl)c1
InChIInChI=1S/C11H15ClN2O/c12-11-7-10(13-15)4-3-9(11)8-14-5-1-2-6-14/h3-4,7,13,15H,1-2,5-6,8H2
InChIKeyPXVBXAQZAHOUDC-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.74
Rot. Bonds3

About N-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]hydroxylamine

N-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]hydroxylamine (PubChem CID 143565225) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is N-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]hydroxylamine.

Molecular Properties

Compound NameN-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]hydroxylamine
PubChem CID143565225
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC NameN-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]hydroxylamine
SMILESONc1ccc(CN2CCCC2)c(Cl)c1
InChIInChI=1S/C11H15ClN2O/c12-11-7-10(13-15)4-3-9(11)8-14-5-1-2-6-14/h3-4,7,13,15H,1-2,5-6,8H2
InChIKeyPXVBXAQZAHOUDC-UHFFFAOYSA-N
XLogP2.74
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.74
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

1-[(2,4-dichlorophenyl)methyl]azetidine
CID 127007358
4-(azepan-1-ylmethyl)-3-chloroaniline
CID 28721850
methyl 3-chloro-4-(pyrrolidin-1-ylmethyl)benzoate
CID 21182738
2-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoacetic acid
CID 117422866
1-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]propan-2-one
CID 117382848
1-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-ol
CID 117418914
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
N-(3-chloro-4-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43923094
N-(3,4-dichlorophenyl)-4-[(2,4-dichlorophenyl)methyl]piperazine-1-carbothioamide
CID 19289339
(3-chloro-4-methylphenyl)-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 59278521
4-(azocan-1-ylmethyl)-3-chloro-N'-hydroxybenzenecarboximidamide
CID 102666797
N-(4-bromo-3-chlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43924876

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]hydroxylamine?
The IUPAC name of N-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]hydroxylamine (CID 143565225) is N-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]hydroxylamine.
What is the SMILES notation for N-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]hydroxylamine?
The canonical SMILES for N-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]hydroxylamine is ONc1ccc(CN2CCCC2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]hydroxylamine?
The InChIKey is PXVBXAQZAHOUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c12-11-7-10(13-15)4-3-9(11)8-14-5-1-2-6-14/h3-4,7,13,15H,1-2,5-6,8H2.
What are the key properties of N-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]hydroxylamine?
N-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]hydroxylamine has a molecular weight of 226.71 g/mol, XLogP of 2.74, 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-(pyrrolidin-1-ylmethyl)phenyl]hydroxylamine is sourced from PubChem (CID 143565225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).