N-[[4-[benzyl(ethyl)amino]phenyl]methylidene]hydroxylamine

C16H18N2O — CID 2394003

IUPACN-[[4-[benzyl(ethyl)amino]phenyl]methylidene]hydroxylamine
SMILESCCN(Cc1ccccc1)c1ccc(C=NO)cc1
InChIInChI=1S/C16H18N2O/c1-2-18(13-15-6-4-3-5-7-15)16-10-8-14(9-11-16)12-17-19/h3-12,19H,2,13H2,1H3
InChIKeyKEIIVQNUZAOBHX-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.52
Rot. Bonds5

About N-[[4-[benzyl(ethyl)amino]phenyl]methylidene]hydroxylamine

N-[[4-[benzyl(ethyl)amino]phenyl]methylidene]hydroxylamine (PubChem CID 2394003) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[[4-[benzyl(ethyl)amino]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[4-[benzyl(ethyl)amino]phenyl]methylidene]hydroxylamine
PubChem CID2394003
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-[[4-[benzyl(ethyl)amino]phenyl]methylidene]hydroxylamine
SMILESCCN(Cc1ccccc1)c1ccc(C=NO)cc1
InChIInChI=1S/C16H18N2O/c1-2-18(13-15-6-4-3-5-7-15)16-10-8-14(9-11-16)12-17-19/h3-12,19H,2,13H2,1H3
InChIKeyKEIIVQNUZAOBHX-UHFFFAOYSA-N
XLogP3.52
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.52
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-benzyl-4-[(benzylhydrazinylidene)methyl]-N-ethylaniline
CID 110839639
N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-2-phenylacetamide
CID 110515251
[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]thiourea
CID 6902327
methyl N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]carbamate
CID 2361352
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide
CID 6900909
N-benzyl-N-ethyl-4-[(E)-(4-methylpiperazin-1-yl)iminomethyl]aniline
CID 6901390
1-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3-prop-2-enylthiourea
CID 2382134
N-benzyl-4-(bromomethyl)-N-ethylaniline
CID 107079787
N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 7966329
N-benzyl-N-ethyl-4-[(2-methyl-3-nitrophenyl)iminomethyl]aniline
CID 23792413
N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-bromobenzenesulfonamide
CID 4237783
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-nitrobenzamide
CID 110506592

Frequently Asked Questions

What is the IUPAC name of N-[[4-[benzyl(ethyl)amino]phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[4-[benzyl(ethyl)amino]phenyl]methylidene]hydroxylamine (CID 2394003) is N-[[4-[benzyl(ethyl)amino]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[4-[benzyl(ethyl)amino]phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[4-[benzyl(ethyl)amino]phenyl]methylidene]hydroxylamine is CCN(Cc1ccccc1)c1ccc(C=NO)cc1.
What is the InChIKey of N-[[4-[benzyl(ethyl)amino]phenyl]methylidene]hydroxylamine?
The InChIKey is KEIIVQNUZAOBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-18(13-15-6-4-3-5-7-15)16-10-8-14(9-11-16)12-17-19/h3-12,19H,2,13H2,1H3.
What are the key properties of N-[[4-[benzyl(ethyl)amino]phenyl]methylidene]hydroxylamine?
N-[[4-[benzyl(ethyl)amino]phenyl]methylidene]hydroxylamine has a molecular weight of 254.33 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[benzyl(ethyl)amino]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 2394003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).