N-[4-[4-[(3-chloro-4-pyridinyl)methoxy]phenyl]butan-2-ylidene]hydroxylamine

C16H17ClN2O2 — CID 77075525

IUPACN-[4-[4-[(3-chloro-4-pyridinyl)methoxy]phenyl]butan-2-ylidene]hydroxylamine
SMILESCC(CCc1ccc(OCc2ccncc2Cl)cc1)=NO
InChIInChI=1S/C16H17ClN2O2/c1-12(19-20)2-3-13-4-6-15(7-5-13)21-11-14-8-9-18-10-16(14)17/h4-10,20H,2-3,11H2,1H3
InChIKeyJUXBKKUANQOTPW-UHFFFAOYSA-N
MW304.78 g/mol
LogP4.10
Rot. Bonds6

About N-[4-[4-[(3-chloro-4-pyridinyl)methoxy]phenyl]butan-2-ylidene]hydroxylamine

N-[4-[4-[(3-chloro-4-pyridinyl)methoxy]phenyl]butan-2-ylidene]hydroxylamine (PubChem CID 77075525) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-[4-[4-[(3-chloro-4-pyridinyl)methoxy]phenyl]butan-2-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[4-[4-[(3-chloro-4-pyridinyl)methoxy]phenyl]butan-2-ylidene]hydroxylamine
PubChem CID77075525
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-[4-[4-[(3-chloro-4-pyridinyl)methoxy]phenyl]butan-2-ylidene]hydroxylamine
SMILESCC(CCc1ccc(OCc2ccncc2Cl)cc1)=NO
InChIInChI=1S/C16H17ClN2O2/c1-12(19-20)2-3-13-4-6-15(7-5-13)21-11-14-8-9-18-10-16(14)17/h4-10,20H,2-3,11H2,1H3
InChIKeyJUXBKKUANQOTPW-UHFFFAOYSA-N
XLogP4.10
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-pyridin-4-ylbutan-2-ylidene)hydroxylamine
CID 76539650
(NZ)-N-[4-(4-phenoxyphenyl)butan-2-ylidene]hydroxylamine
CID 21296282
(NE)-N-[4-[4-(3-methoxypropoxy)phenyl]butan-2-ylidene]hydroxylamine
CID 54936027
4-[4-(3-hydroxyiminobutyl)phenoxy]butan-1-ol
CID 76917502
(NE)-N-[4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-ylidene]hydroxylamine
CID 24707329
5-[(3-chloro-4-pyridinyl)methoxy]pyridine-2-carboxylic acid
CID 79794515
N-[4-[4-[(3-bromothiophen-2-yl)methoxy]phenyl]butan-2-ylidene]hydroxylamine
CID 76917671
2-(bromomethyl)-5-[(3-chloro-4-pyridinyl)methoxy]pyridine
CID 79799954
(NE)-N-[4-[4-(4-methylpentoxy)phenyl]butan-2-ylidene]hydroxylamine
CID 83159110
3-chloro-4-[(1-methylpyrazol-4-yl)oxymethyl]pyridine
CID 116794133
1-[4-[(3-chloro-4-pyridinyl)methoxy]-2-fluorophenyl]ethanol
CID 107719563
(NZ)-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 115495632

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(3-chloro-4-pyridinyl)methoxy]phenyl]butan-2-ylidene]hydroxylamine?
The IUPAC name of N-[4-[4-[(3-chloro-4-pyridinyl)methoxy]phenyl]butan-2-ylidene]hydroxylamine (CID 77075525) is N-[4-[4-[(3-chloro-4-pyridinyl)methoxy]phenyl]butan-2-ylidene]hydroxylamine.
What is the SMILES notation for N-[4-[4-[(3-chloro-4-pyridinyl)methoxy]phenyl]butan-2-ylidene]hydroxylamine?
The canonical SMILES for N-[4-[4-[(3-chloro-4-pyridinyl)methoxy]phenyl]butan-2-ylidene]hydroxylamine is CC(CCc1ccc(OCc2ccncc2Cl)cc1)=NO.
What is the InChIKey of N-[4-[4-[(3-chloro-4-pyridinyl)methoxy]phenyl]butan-2-ylidene]hydroxylamine?
The InChIKey is JUXBKKUANQOTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-12(19-20)2-3-13-4-6-15(7-5-13)21-11-14-8-9-18-10-16(14)17/h4-10,20H,2-3,11H2,1H3.
What are the key properties of N-[4-[4-[(3-chloro-4-pyridinyl)methoxy]phenyl]butan-2-ylidene]hydroxylamine?
N-[4-[4-[(3-chloro-4-pyridinyl)methoxy]phenyl]butan-2-ylidene]hydroxylamine has a molecular weight of 304.78 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(3-chloro-4-pyridinyl)methoxy]phenyl]butan-2-ylidene]hydroxylamine is sourced from PubChem (CID 77075525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).