(1S)-N-ethoxy-1-(4-phenylphenyl)ethanamine

C16H19NO — CID 163358844

IUPAC(1S)-N-ethoxy-1-(4-phenylphenyl)ethanamine
SMILESCCON[C@@H](C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H19NO/c1-3-18-17-13(2)14-9-11-16(12-10-14)15-7-5-4-6-8-15/h4-13,17H,3H2,1-2H3/t13-/m0/s1
InChIKeyJLGJSRDUAFTLIR-ZDUSSCGKSA-N
MW241.33 g/mol
LogP3.96
Rot. Bonds5

About (1S)-N-ethoxy-1-(4-phenylphenyl)ethanamine

(1S)-N-ethoxy-1-(4-phenylphenyl)ethanamine (PubChem CID 163358844) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (1S)-N-ethoxy-1-(4-phenylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-ethoxy-1-(4-phenylphenyl)ethanamine
PubChem CID163358844
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(1S)-N-ethoxy-1-(4-phenylphenyl)ethanamine
SMILESCCON[C@@H](C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H19NO/c1-3-18-17-13(2)14-9-11-16(12-10-14)15-7-5-4-6-8-15/h4-13,17H,3H2,1-2H3/t13-/m0/s1
InChIKeyJLGJSRDUAFTLIR-ZDUSSCGKSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.96
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

1-(4-Isopropylphenyl)ethanamine
CID 3728039
1,3-Diphenylpropylamine
CID 110690
1-(4-Phenylphenyl)ethan-1-amine
CID 2771754
A-phenyl-beta-(p-tolyl)ethylamine
CID 191086
1-Methyl-2-[4-(3-phenyl-propyl)-phenyl]-ethylamine
CID 10610912
1-(4-Phenylphenyl)propan-2-amine hydrochloride
CID 32055
Benzyl(ethoxy)amine
CID 18794272
1-(4-Phenylphenyl)propan-2-amine
CID 32056
(4'-Methyl-[1,1'-biphenyl]-4-yl)methanamine
CID 1394296
1,4-Diphenylbutan-1-amine
CID 16226791
N-Methoxy-1-(4-methylphenyl)propan-2-amine--hydrogen chloride (1/1)
CID 199107
Hydroxylamine, O-isopropyl-N-(alpha-methylphenethyl)-
CID 3063246

Frequently Asked Questions

What is the IUPAC name of (1S)-N-ethoxy-1-(4-phenylphenyl)ethanamine?
The IUPAC name of (1S)-N-ethoxy-1-(4-phenylphenyl)ethanamine (CID 163358844) is (1S)-N-ethoxy-1-(4-phenylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-ethoxy-1-(4-phenylphenyl)ethanamine?
The canonical SMILES for (1S)-N-ethoxy-1-(4-phenylphenyl)ethanamine is CCON[C@@H](C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (1S)-N-ethoxy-1-(4-phenylphenyl)ethanamine?
The InChIKey is JLGJSRDUAFTLIR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-18-17-13(2)14-9-11-16(12-10-14)15-7-5-4-6-8-15/h4-13,17H,3H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-N-ethoxy-1-(4-phenylphenyl)ethanamine?
(1S)-N-ethoxy-1-(4-phenylphenyl)ethanamine has a molecular weight of 241.33 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-ethoxy-1-(4-phenylphenyl)ethanamine is sourced from PubChem (CID 163358844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).