N-[[2-[2-(4-bromophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine

C16H16BrNO4 — CID 20988942

IUPACN-[[2-[2-(4-bromophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
SMILESCOc1ccc(C=NO)c(OCCOc2ccc(Br)cc2)c1
InChIInChI=1S/C16H16BrNO4/c1-20-15-5-2-12(11-18-19)16(10-15)22-9-8-21-14-6-3-13(17)4-7-14/h2-7,10-11,19H,8-9H2,1H3
InChIKeyCMLMKGGKZKMQSZ-UHFFFAOYSA-N
MW366.21 g/mol
LogP3.72
Rot. Bonds7

About N-[[2-[2-(4-bromophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine

N-[[2-[2-(4-bromophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine (PubChem CID 20988942) has the molecular formula C16H16BrNO4 and a molecular weight of 366.21 g/mol. Its IUPAC name is N-[[2-[2-(4-bromophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[2-[2-(4-bromophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
PubChem CID20988942
Molecular FormulaC16H16BrNO4
Molecular Weight366.21 g/mol
Exact Mass365.03
IUPAC NameN-[[2-[2-(4-bromophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
SMILESCOc1ccc(C=NO)c(OCCOc2ccc(Br)cc2)c1
InChIInChI=1S/C16H16BrNO4/c1-20-15-5-2-12(11-18-19)16(10-15)22-9-8-21-14-6-3-13(17)4-7-14/h2-7,10-11,19H,8-9H2,1H3
InChIKeyCMLMKGGKZKMQSZ-UHFFFAOYSA-N
XLogP3.72
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.21
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

(NE)-N-[[4-methoxy-2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 42206426
N-[[4-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22684938
(NE)-N-[(4-methoxy-2-prop-2-enoxyphenyl)methylidene]hydroxylamine
CID 10584441
N-[[5-bromo-2-[2-(4-tert-butylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22680629
N-[[5-bromo-2-[2-(4-chlorophenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20990708
methyl 2-[2-(4-bromophenoxy)ethoxy]-4-methoxybenzoate
CID 7705076
N-[[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 22680097
N-[[5-bromo-2-[2-(4-fluorophenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 20987045
2-[2-(4-bromophenoxy)ethoxy]-4-methoxybenzonitrile
CID 20992087
(NE)-N-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 42315478
(NE)-N-[[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 42232312
N-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine
CID 2755791

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(4-bromophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[2-[2-(4-bromophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine (CID 20988942) is N-[[2-[2-(4-bromophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[2-[2-(4-bromophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[2-[2-(4-bromophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine is COc1ccc(C=NO)c(OCCOc2ccc(Br)cc2)c1.
What is the InChIKey of N-[[2-[2-(4-bromophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine?
The InChIKey is CMLMKGGKZKMQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO4/c1-20-15-5-2-12(11-18-19)16(10-15)22-9-8-21-14-6-3-13(17)4-7-14/h2-7,10-11,19H,8-9H2,1H3.
What are the key properties of N-[[2-[2-(4-bromophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine?
N-[[2-[2-(4-bromophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine has a molecular weight of 366.21 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(4-bromophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine is sourced from PubChem (CID 20988942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).