N-[2-(2-methylphenyl)phenyl]-N-(1-phenylethyl)hydroxylamine

C21H21NO — CID 143267056

IUPACN-[2-(2-methylphenyl)phenyl]-N-(1-phenylethyl)hydroxylamine
SMILESCc1ccccc1-c1ccccc1N(O)C(C)c1ccccc1
InChIInChI=1S/C21H21NO/c1-16-10-6-7-13-19(16)20-14-8-9-15-21(20)22(23)17(2)18-11-4-3-5-12-18/h3-15,17,23H,1-2H3
InChIKeyDRLDLVBPOBIYDS-UHFFFAOYSA-N
MW303.41 g/mol
LogP5.62
Rot. Bonds4

About N-[2-(2-methylphenyl)phenyl]-N-(1-phenylethyl)hydroxylamine

N-[2-(2-methylphenyl)phenyl]-N-(1-phenylethyl)hydroxylamine (PubChem CID 143267056) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)phenyl]-N-(1-phenylethyl)hydroxylamine.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)phenyl]-N-(1-phenylethyl)hydroxylamine
PubChem CID143267056
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC NameN-[2-(2-methylphenyl)phenyl]-N-(1-phenylethyl)hydroxylamine
SMILESCc1ccccc1-c1ccccc1N(O)C(C)c1ccccc1
InChIInChI=1S/C21H21NO/c1-16-10-6-7-13-19(16)20-14-8-9-15-21(20)22(23)17(2)18-11-4-3-5-12-18/h3-15,17,23H,1-2H3
InChIKeyDRLDLVBPOBIYDS-UHFFFAOYSA-N
XLogP5.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.41
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
butane;methanamine;N-[1-[4-[4-(methylamino)phenyl]phenyl]ethyl]-N-(2-methylphenyl)hydroxylamine
CID 143261120
(1R)-1-phenyl-N,N-bis[(1R)-1-phenylethyl]ethanamine;(1S)-1-phenyl-N,N-bis[(1S)-1-phenylethyl]ethanamine
CID 139197887
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276
N,2-dimethyl-N-(1-phenylethyl)benzamide
CID 78799210
fluoro(1-phenylethyl)carbamic acid
CID 152621646
1-[N-(1-hydroxyethyl)-2,3-dimethylanilino]ethanol
CID 67257224
dimethylsilane;1-methyl-2-(2-methylphenyl)benzene
CID 162166796
N-(chloromethyl)-N-[2-(2-methylphenyl)phenyl]carbamoyl chloride
CID 141235863
(1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride
CID 141121906
N-benzyl-N-[(1R)-1-phenylethyl]hydroxylamine
CID 15778138

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)phenyl]-N-(1-phenylethyl)hydroxylamine?
The IUPAC name of N-[2-(2-methylphenyl)phenyl]-N-(1-phenylethyl)hydroxylamine (CID 143267056) is N-[2-(2-methylphenyl)phenyl]-N-(1-phenylethyl)hydroxylamine.
What is the SMILES notation for N-[2-(2-methylphenyl)phenyl]-N-(1-phenylethyl)hydroxylamine?
The canonical SMILES for N-[2-(2-methylphenyl)phenyl]-N-(1-phenylethyl)hydroxylamine is Cc1ccccc1-c1ccccc1N(O)C(C)c1ccccc1.
What is the InChIKey of N-[2-(2-methylphenyl)phenyl]-N-(1-phenylethyl)hydroxylamine?
The InChIKey is DRLDLVBPOBIYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-16-10-6-7-13-19(16)20-14-8-9-15-21(20)22(23)17(2)18-11-4-3-5-12-18/h3-15,17,23H,1-2H3.
What are the key properties of N-[2-(2-methylphenyl)phenyl]-N-(1-phenylethyl)hydroxylamine?
N-[2-(2-methylphenyl)phenyl]-N-(1-phenylethyl)hydroxylamine has a molecular weight of 303.41 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)phenyl]-N-(1-phenylethyl)hydroxylamine is sourced from PubChem (CID 143267056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).