N-[[4-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]hydroxylamine

C12H17NO3 — CID 117319960

IUPACN-[[4-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]hydroxylamine
SMILESCOc1cc(CNO)ccc1OCC1CC1
InChIInChI=1S/C12H17NO3/c1-15-12-6-10(7-13-14)4-5-11(12)16-8-9-2-3-9/h4-6,9,13-14H,2-3,7-8H2,1H3
InChIKeyRAWWIDODUWKTHA-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.96
Rot. Bonds6

About N-[[4-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]hydroxylamine

N-[[4-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]hydroxylamine (PubChem CID 117319960) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-[[4-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[4-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]hydroxylamine
PubChem CID117319960
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-[[4-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]hydroxylamine
SMILESCOc1cc(CNO)ccc1OCC1CC1
InChIInChI=1S/C12H17NO3/c1-15-12-6-10(7-13-14)4-5-11(12)16-8-9-2-3-9/h4-6,9,13-14H,2-3,7-8H2,1H3
InChIKeyRAWWIDODUWKTHA-UHFFFAOYSA-N
XLogP1.96
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.96
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

2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethanol
CID 117318422
N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 61344979
N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine
CID 43560119
N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]hydroxylamine
CID 115004271
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107412254
4-(bromomethyl)-1-(cyclopentylmethoxy)-2-methoxybenzene
CID 61343201
4-(chloromethyl)-2-(cyclopropylmethoxy)-1-methoxybenzene
CID 22456846
N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63056811
2-amino-3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propanoic acid
CID 117417115
N-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]hydroxylamine
CID 117377485
N-[(3-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117276489
N-[[3-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine
CID 117283837

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]hydroxylamine?
The IUPAC name of N-[[4-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]hydroxylamine (CID 117319960) is N-[[4-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[4-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[4-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]hydroxylamine is COc1cc(CNO)ccc1OCC1CC1.
What is the InChIKey of N-[[4-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]hydroxylamine?
The InChIKey is RAWWIDODUWKTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-15-12-6-10(7-13-14)4-5-11(12)16-8-9-2-3-9/h4-6,9,13-14H,2-3,7-8H2,1H3.
What are the key properties of N-[[4-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]hydroxylamine?
N-[[4-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]hydroxylamine has a molecular weight of 223.27 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]hydroxylamine is sourced from PubChem (CID 117319960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).