N-[1-[4-(2-cyclopropylethoxy)phenyl]ethylidene]hydroxylamine

C13H17NO2 — CID 77073927

IUPACN-[1-[4-(2-cyclopropylethoxy)phenyl]ethylidene]hydroxylamine
SMILESCC(=NO)c1ccc(OCCC2CC2)cc1
InChIInChI=1S/C13H17NO2/c1-10(14-15)12-4-6-13(7-5-12)16-9-8-11-2-3-11/h4-7,11,15H,2-3,8-9H2,1H3
InChIKeyPLKMSLLGWFZTRH-UHFFFAOYSA-N
MW219.28 g/mol
LogP3.06
Rot. Bonds5

About N-[1-[4-(2-cyclopropylethoxy)phenyl]ethylidene]hydroxylamine

N-[1-[4-(2-cyclopropylethoxy)phenyl]ethylidene]hydroxylamine (PubChem CID 77073927) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-[1-[4-(2-cyclopropylethoxy)phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[4-(2-cyclopropylethoxy)phenyl]ethylidene]hydroxylamine
PubChem CID77073927
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-[1-[4-(2-cyclopropylethoxy)phenyl]ethylidene]hydroxylamine
SMILESCC(=NO)c1ccc(OCCC2CC2)cc1
InChIInChI=1S/C13H17NO2/c1-10(14-15)12-4-6-13(7-5-12)16-9-8-11-2-3-11/h4-7,11,15H,2-3,8-9H2,1H3
InChIKeyPLKMSLLGWFZTRH-UHFFFAOYSA-N
XLogP3.06
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[1-(4-butoxyphenyl)ethylidene]hydroxylamine
CID 74865969
(NZ)-N-[1-(4-ethoxyphenyl)ethylidene]hydroxylamine
CID 6161397
(NE)-N-[1-[4-(2-ethoxyethoxy)phenyl]ethylidene]hydroxylamine
CID 43457224
(NE)-N-[1-[4-(3-methoxy-3-methylbutoxy)phenyl]ethylidene]hydroxylamine
CID 103033958
4-[5-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]pentoxy]benzenecarboximidamide
CID 59159964
(NE)-N-[1-[4-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 24690511
(NE)-N-[1-[4-(2-methylprop-2-enoxy)phenyl]ethylidene]hydroxylamine
CID 24706297
N-[1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]ethylidene]hydroxylamine
CID 61484376
(NE)-N-[1-[4-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine
CID 106725509
(NE)-N-[1-[4-(2-ethylbutoxy)phenyl]ethylidene]hydroxylamine
CID 82926938
5-(2-cyclopropylethoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136731200
4-(2-cyclopropylethoxy)pyridine
CID 174949801

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-cyclopropylethoxy)phenyl]ethylidene]hydroxylamine?
The IUPAC name of N-[1-[4-(2-cyclopropylethoxy)phenyl]ethylidene]hydroxylamine (CID 77073927) is N-[1-[4-(2-cyclopropylethoxy)phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[4-(2-cyclopropylethoxy)phenyl]ethylidene]hydroxylamine?
The canonical SMILES for N-[1-[4-(2-cyclopropylethoxy)phenyl]ethylidene]hydroxylamine is CC(=NO)c1ccc(OCCC2CC2)cc1.
What is the InChIKey of N-[1-[4-(2-cyclopropylethoxy)phenyl]ethylidene]hydroxylamine?
The InChIKey is PLKMSLLGWFZTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10(14-15)12-4-6-13(7-5-12)16-9-8-11-2-3-11/h4-7,11,15H,2-3,8-9H2,1H3.
What are the key properties of N-[1-[4-(2-cyclopropylethoxy)phenyl]ethylidene]hydroxylamine?
N-[1-[4-(2-cyclopropylethoxy)phenyl]ethylidene]hydroxylamine has a molecular weight of 219.28 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-cyclopropylethoxy)phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 77073927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).