N-[1-[(4-methoxyphenyl)methylamino]propan-2-yl]-N-methylhydroxylamine

C12H20N2O2 — CID 10609197

IUPACN-[1-[(4-methoxyphenyl)methylamino]propan-2-yl]-N-methylhydroxylamine
SMILESCOc1ccc(CNCC(C)N(C)O)cc1
InChIInChI=1S/C12H20N2O2/c1-10(14(2)15)8-13-9-11-4-6-12(16-3)7-5-11/h4-7,10,13,15H,8-9H2,1-3H3
InChIKeyOTZZQDKYPBNMRS-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.49
Rot. Bonds6

About N-[1-[(4-methoxyphenyl)methylamino]propan-2-yl]-N-methylhydroxylamine

N-[1-[(4-methoxyphenyl)methylamino]propan-2-yl]-N-methylhydroxylamine (PubChem CID 10609197) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[1-[(4-methoxyphenyl)methylamino]propan-2-yl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[1-[(4-methoxyphenyl)methylamino]propan-2-yl]-N-methylhydroxylamine
PubChem CID10609197
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-[1-[(4-methoxyphenyl)methylamino]propan-2-yl]-N-methylhydroxylamine
SMILESCOc1ccc(CNCC(C)N(C)O)cc1
InChIInChI=1S/C12H20N2O2/c1-10(14(2)15)8-13-9-11-4-6-12(16-3)7-5-11/h4-7,10,13,15H,8-9H2,1-3H3
InChIKeyOTZZQDKYPBNMRS-UHFFFAOYSA-N
XLogP1.49
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.49
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-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 43201033
1-[(4-methoxyphenyl)methylamino]butan-2-ol
CID 23060649
N-[(4-methoxyphenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252801
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
4-chloro-N-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 66091317
1-[(4-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate
CID 82533366
N-[(4-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 796206
2-hydroxy-3-[(4-methoxyphenyl)methylamino]propanamide
CID 106170843
1-[(4-methoxyphenyl)methylamino]-3-methylbutan-2-one
CID 177295585
tert-butyl (2R)-3-[(4-methoxyphenyl)methylamino]-2-methylpropanoate
CID 94133637
tert-butyl (2S)-3-[(4-methoxyphenyl)methylamino]-2-methylpropanoate
CID 94133636
1-[(4-butoxyphenyl)methylamino]-3-methylbutan-2-ol
CID 115630592

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methoxyphenyl)methylamino]propan-2-yl]-N-methylhydroxylamine?
The IUPAC name of N-[1-[(4-methoxyphenyl)methylamino]propan-2-yl]-N-methylhydroxylamine (CID 10609197) is N-[1-[(4-methoxyphenyl)methylamino]propan-2-yl]-N-methylhydroxylamine.
What is the SMILES notation for N-[1-[(4-methoxyphenyl)methylamino]propan-2-yl]-N-methylhydroxylamine?
The canonical SMILES for N-[1-[(4-methoxyphenyl)methylamino]propan-2-yl]-N-methylhydroxylamine is COc1ccc(CNCC(C)N(C)O)cc1.
What is the InChIKey of N-[1-[(4-methoxyphenyl)methylamino]propan-2-yl]-N-methylhydroxylamine?
The InChIKey is OTZZQDKYPBNMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10(14(2)15)8-13-9-11-4-6-12(16-3)7-5-11/h4-7,10,13,15H,8-9H2,1-3H3.
What are the key properties of N-[1-[(4-methoxyphenyl)methylamino]propan-2-yl]-N-methylhydroxylamine?
N-[1-[(4-methoxyphenyl)methylamino]propan-2-yl]-N-methylhydroxylamine has a molecular weight of 224.30 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methoxyphenyl)methylamino]propan-2-yl]-N-methylhydroxylamine is sourced from PubChem (CID 10609197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).