(NE)-N-[1-[4-(2-propan-2-yloxyethoxy)phenyl]propan-2-ylidene]hydroxylamine

C14H21NO3 — CID 115495682

IUPAC(NE)-N-[1-[4-(2-propan-2-yloxyethoxy)phenyl]propan-2-ylidene]hydroxylamine
SMILESC/C(Cc1ccc(OCCOC(C)C)cc1)=N\O
InChIInChI=1S/C14H21NO3/c1-11(2)17-8-9-18-14-6-4-13(5-7-14)10-12(3)15-16/h4-7,11,16H,8-10H2,1-3H3/b15-12+
InChIKeyPAAXWPCTZXTPOG-NTCAYCPXSA-N
MW251.33 g/mol
LogP2.88
Rot. Bonds7

About (NE)-N-[1-[4-(2-propan-2-yloxyethoxy)phenyl]propan-2-ylidene]hydroxylamine

(NE)-N-[1-[4-(2-propan-2-yloxyethoxy)phenyl]propan-2-ylidene]hydroxylamine (PubChem CID 115495682) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (NE)-N-[1-[4-(2-propan-2-yloxyethoxy)phenyl]propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[4-(2-propan-2-yloxyethoxy)phenyl]propan-2-ylidene]hydroxylamine
PubChem CID115495682
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name(NE)-N-[1-[4-(2-propan-2-yloxyethoxy)phenyl]propan-2-ylidene]hydroxylamine
SMILESC/C(Cc1ccc(OCCOC(C)C)cc1)=N\O
InChIInChI=1S/C14H21NO3/c1-11(2)17-8-9-18-14-6-4-13(5-7-14)10-12(3)15-16/h4-7,11,16H,8-10H2,1-3H3/b15-12+
InChIKeyPAAXWPCTZXTPOG-NTCAYCPXSA-N
XLogP2.88
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-ethyl-4-(2-propan-2-yloxyethoxy)benzene
CID 60643723
(NE)-N-[1-[4-(1-methoxypropan-2-yloxy)phenyl]propan-2-ylidene]hydroxylamine
CID 113323073
(NZ)-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 115495632
N-[1-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine
CID 88750073
(NZ)-N-[1-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine
CID 79015794
(NZ)-N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-2-ylidene]hydroxylamine
CID 115495566
1-ethoxy-3-[4-[(2E)-2-hydroxyiminopropyl]phenoxy]propan-2-ol
CID 115495613
diphenyl-[4-(2-propan-2-yloxyethoxy)phenyl]sulfanium
CID 59584286
1-phenylmethoxy-4-(2-propan-2-yloxyethoxy)benzene
CID 58914302
(NZ)-N-[1-[4-[(2,6-difluorophenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 114930385
(NE)-N-[4-[4-(4-methylpentoxy)phenyl]butan-2-ylidene]hydroxylamine
CID 83159110
1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 43189064

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[4-(2-propan-2-yloxyethoxy)phenyl]propan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[4-(2-propan-2-yloxyethoxy)phenyl]propan-2-ylidene]hydroxylamine (CID 115495682) is (NE)-N-[1-[4-(2-propan-2-yloxyethoxy)phenyl]propan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[4-(2-propan-2-yloxyethoxy)phenyl]propan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[4-(2-propan-2-yloxyethoxy)phenyl]propan-2-ylidene]hydroxylamine is C/C(Cc1ccc(OCCOC(C)C)cc1)=N\O.
What is the InChIKey of (NE)-N-[1-[4-(2-propan-2-yloxyethoxy)phenyl]propan-2-ylidene]hydroxylamine?
The InChIKey is PAAXWPCTZXTPOG-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11(2)17-8-9-18-14-6-4-13(5-7-14)10-12(3)15-16/h4-7,11,16H,8-10H2,1-3H3/b15-12+.
What are the key properties of (NE)-N-[1-[4-(2-propan-2-yloxyethoxy)phenyl]propan-2-ylidene]hydroxylamine?
(NE)-N-[1-[4-(2-propan-2-yloxyethoxy)phenyl]propan-2-ylidene]hydroxylamine has a molecular weight of 251.33 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[4-(2-propan-2-yloxyethoxy)phenyl]propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 115495682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).