1-phenyl-N-(1-phenylbutoxy)ethenamine

C18H21NO — CID 134883649

IUPAC1-phenyl-N-(1-phenylbutoxy)ethenamine
SMILESC=C(NOC(CCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-3-10-18(17-13-8-5-9-14-17)20-19-15(2)16-11-6-4-7-12-16/h4-9,11-14,18-19H,2-3,10H2,1H3
InChIKeyONRAAEGQWHEISJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.72
Rot. Bonds7

About 1-phenyl-N-(1-phenylbutoxy)ethenamine

1-phenyl-N-(1-phenylbutoxy)ethenamine (PubChem CID 134883649) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-phenyl-N-(1-phenylbutoxy)ethenamine.

Molecular Properties

Compound Name1-phenyl-N-(1-phenylbutoxy)ethenamine
PubChem CID134883649
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-phenyl-N-(1-phenylbutoxy)ethenamine
SMILESC=C(NOC(CCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-3-10-18(17-13-8-5-9-14-17)20-19-15(2)16-11-6-4-7-12-16/h4-9,11-14,18-19H,2-3,10H2,1H3
InChIKeyONRAAEGQWHEISJ-UHFFFAOYSA-N
XLogP4.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.72
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

2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine
CID 15261432
1-phenyl-N-(1-phenylethoxy)pentan-1-amine
CID 15261429
2,2-dimethyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine
CID 15261430
1-phenyl-N-(1-phenylethoxy)but-3-en-1-amine
CID 15261431
N,O-Dibenzylhydroxylamine
CID 11063773
2,2-Dimethyl-3-(1-phenylethoxy)-4-phenyl-3-azapentane
CID 11403756
Benzyloxyaniline
CID 12589378
N-Benzoxybenzhydrylamine
CID 15025165
Diaminodiphenylkarbinol
CID 70406660
Diphenyloxaziridine
CID 87219330
3-[3-[5-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]prop-2-yn-1-ol
CID 56982800
1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxyethenamine
CID 57100784

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(1-phenylbutoxy)ethenamine?
The IUPAC name of 1-phenyl-N-(1-phenylbutoxy)ethenamine (CID 134883649) is 1-phenyl-N-(1-phenylbutoxy)ethenamine.
What is the SMILES notation for 1-phenyl-N-(1-phenylbutoxy)ethenamine?
The canonical SMILES for 1-phenyl-N-(1-phenylbutoxy)ethenamine is C=C(NOC(CCC)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-(1-phenylbutoxy)ethenamine?
The InChIKey is ONRAAEGQWHEISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-3-10-18(17-13-8-5-9-14-17)20-19-15(2)16-11-6-4-7-12-16/h4-9,11-14,18-19H,2-3,10H2,1H3.
What are the key properties of 1-phenyl-N-(1-phenylbutoxy)ethenamine?
1-phenyl-N-(1-phenylbutoxy)ethenamine has a molecular weight of 267.37 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(1-phenylbutoxy)ethenamine is sourced from PubChem (CID 134883649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).