(NZ)-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine

C17H19NO2 — CID 115495632

IUPAC(NZ)-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
SMILESC/C(Cc1ccc(OCc2ccc(C)cc2)cc1)=N/O
InChIInChI=1S/C17H19NO2/c1-13-3-5-16(6-4-13)12-20-17-9-7-15(8-10-17)11-14(2)18-19/h3-10,19H,11-12H2,1-2H3/b18-14-
InChIKeyJBDCIPDLGZAWPB-JXAWBTAJSA-N
MW269.34 g/mol
LogP3.97
Rot. Bonds5

About (NZ)-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine

(NZ)-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine (PubChem CID 115495632) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (NZ)-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
PubChem CID115495632
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(NZ)-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
SMILESC/C(Cc1ccc(OCc2ccc(C)cc2)cc1)=N/O
InChIInChI=1S/C17H19NO2/c1-13-3-5-16(6-4-13)12-20-17-9-7-15(8-10-17)11-14(2)18-19/h3-10,19H,11-12H2,1-2H3/b18-14-
InChIKeyJBDCIPDLGZAWPB-JXAWBTAJSA-N
XLogP3.97
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.97
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-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine
CID 88750073
(NZ)-N-[1-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine
CID 79015794
(NZ)-N-[1-(4-methylphenyl)propan-2-ylidene]hydroxylamine
CID 91619623
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
(NZ)-N-[1-[4-[(2,6-difluorophenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 114930385
(NE)-N-[1-[4-[(2-methoxyphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 115495642
(NZ)-N-[1-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 115495508
(NZ)-N-[1-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 115495504
4-(2-hydroxyiminopropyl)phenol
CID 572036
(NE)-N-[1-[4-(2-propan-2-yloxyethoxy)phenyl]propan-2-ylidene]hydroxylamine
CID 115495682
(NE)-N-[1-[4-[(2-methoxy-3-pyridinyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 115495621
1-(bromomethyl)-4-[(4-methylphenyl)methoxy]benzene
CID 22983698

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine (CID 115495632) is (NZ)-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine is C/C(Cc1ccc(OCc2ccc(C)cc2)cc1)=N/O.
What is the InChIKey of (NZ)-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine?
The InChIKey is JBDCIPDLGZAWPB-JXAWBTAJSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13-3-5-16(6-4-13)12-20-17-9-7-15(8-10-17)11-14(2)18-19/h3-10,19H,11-12H2,1-2H3/b18-14-.
What are the key properties of (NZ)-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine?
(NZ)-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine has a molecular weight of 269.34 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 115495632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).