N-[4-[2-[2-(dimethylamino)ethyl]phenyl]-1-phenylbutylidene]hydroxylamine

C20H26N2O — CID 88690466

IUPACN-[4-[2-[2-(dimethylamino)ethyl]phenyl]-1-phenylbutylidene]hydroxylamine
SMILESCN(C)CCc1ccccc1CCCC(=NO)c1ccccc1
InChIInChI=1S/C20H26N2O/c1-22(2)16-15-18-10-7-6-9-17(18)13-8-14-20(21-23)19-11-4-3-5-12-19/h3-7,9-12,23H,8,13-16H2,1-2H3
InChIKeyVIOKUZWFHAMPER-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.99
Rot. Bonds8

About N-[4-[2-[2-(dimethylamino)ethyl]phenyl]-1-phenylbutylidene]hydroxylamine

N-[4-[2-[2-(dimethylamino)ethyl]phenyl]-1-phenylbutylidene]hydroxylamine (PubChem CID 88690466) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[4-[2-[2-(dimethylamino)ethyl]phenyl]-1-phenylbutylidene]hydroxylamine.

Molecular Properties

Compound NameN-[4-[2-[2-(dimethylamino)ethyl]phenyl]-1-phenylbutylidene]hydroxylamine
PubChem CID88690466
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-[4-[2-[2-(dimethylamino)ethyl]phenyl]-1-phenylbutylidene]hydroxylamine
SMILESCN(C)CCc1ccccc1CCCC(=NO)c1ccccc1
InChIInChI=1S/C20H26N2O/c1-22(2)16-15-18-10-7-6-9-17(18)13-8-14-20(21-23)19-11-4-3-5-12-19/h3-7,9-12,23H,8,13-16H2,1-2H3
InChIKeyVIOKUZWFHAMPER-UHFFFAOYSA-N
XLogP3.99
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.99
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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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(dimethylamino)ethyl]phenyl]-1-phenylbutylidene]hydroxylamine?
The IUPAC name of N-[4-[2-[2-(dimethylamino)ethyl]phenyl]-1-phenylbutylidene]hydroxylamine (CID 88690466) is N-[4-[2-[2-(dimethylamino)ethyl]phenyl]-1-phenylbutylidene]hydroxylamine.
What is the SMILES notation for N-[4-[2-[2-(dimethylamino)ethyl]phenyl]-1-phenylbutylidene]hydroxylamine?
The canonical SMILES for N-[4-[2-[2-(dimethylamino)ethyl]phenyl]-1-phenylbutylidene]hydroxylamine is CN(C)CCc1ccccc1CCCC(=NO)c1ccccc1.
What is the InChIKey of N-[4-[2-[2-(dimethylamino)ethyl]phenyl]-1-phenylbutylidene]hydroxylamine?
The InChIKey is VIOKUZWFHAMPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-22(2)16-15-18-10-7-6-9-17(18)13-8-14-20(21-23)19-11-4-3-5-12-19/h3-7,9-12,23H,8,13-16H2,1-2H3.
What are the key properties of N-[4-[2-[2-(dimethylamino)ethyl]phenyl]-1-phenylbutylidene]hydroxylamine?
N-[4-[2-[2-(dimethylamino)ethyl]phenyl]-1-phenylbutylidene]hydroxylamine has a molecular weight of 310.44 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(dimethylamino)ethyl]phenyl]-1-phenylbutylidene]hydroxylamine is sourced from PubChem (CID 88690466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).