N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]hydroxylamine

C11H16BrNO3 — CID 82685518

IUPACN-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]hydroxylamine
SMILESCCCOc1c(Br)cc(CNO)cc1OC
InChIInChI=1S/C11H16BrNO3/c1-3-4-16-11-9(12)5-8(7-13-14)6-10(11)15-2/h5-6,13-14H,3-4,7H2,1-2H3
InChIKeyYRURUKXCBMRLCS-UHFFFAOYSA-N
MW290.16 g/mol
LogP2.73
Rot. Bonds6

About N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]hydroxylamine

N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]hydroxylamine (PubChem CID 82685518) has the molecular formula C11H16BrNO3 and a molecular weight of 290.16 g/mol. Its IUPAC name is N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]hydroxylamine
PubChem CID82685518
Molecular FormulaC11H16BrNO3
Molecular Weight290.16 g/mol
Exact Mass289.03
IUPAC NameN-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]hydroxylamine
SMILESCCCOc1c(Br)cc(CNO)cc1OC
InChIInChI=1S/C11H16BrNO3/c1-3-4-16-11-9(12)5-8(7-13-14)6-10(11)15-2/h5-6,13-14H,3-4,7H2,1-2H3
InChIKeyYRURUKXCBMRLCS-UHFFFAOYSA-N
XLogP2.73
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]ethanamine
CID 29227219
1-[(3-bromo-5-methoxy-4-propoxyphenyl)methylamino]-2-methylpropan-2-ol
CID 63934145
N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]-1-cyclopentylmethanamine
CID 43431113
N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 29227314
1-[3-bromo-5-methoxy-4-(2-propoxyethoxy)phenyl]-N-methylmethanamine
CID 106449961
N'-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]-N-methylpropane-1,3-diamine
CID 29241878
N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 104827758
2-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]ethanol
CID 43622374
N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]-4-methoxybutan-2-amine
CID 62732798
(1S)-N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]-1-phenylethanamine
CID 29227157
N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]-2-cyclopropylpropan-1-amine
CID 115592741
1-bromo-3-methoxy-5-methyl-2-propoxybenzene
CID 19887974

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]hydroxylamine (CID 82685518) is N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]hydroxylamine is CCCOc1c(Br)cc(CNO)cc1OC.
What is the InChIKey of N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]hydroxylamine?
The InChIKey is YRURUKXCBMRLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3/c1-3-4-16-11-9(12)5-8(7-13-14)6-10(11)15-2/h5-6,13-14H,3-4,7H2,1-2H3.
What are the key properties of N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]hydroxylamine?
N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]hydroxylamine has a molecular weight of 290.16 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]hydroxylamine is sourced from PubChem (CID 82685518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).