1-phenyl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]ethanamine

C22H23NO — CID 54847639

IUPAC1-phenyl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]ethanamine
SMILESC=CCOc1ccc2ccccc2c1CNC(C)c1ccccc1
InChIInChI=1S/C22H23NO/c1-3-15-24-22-14-13-19-11-7-8-12-20(19)21(22)16-23-17(2)18-9-5-4-6-10-18/h3-14,17,23H,1,15-16H2,2H3
InChIKeyPFFTVGPCYBDXDL-UHFFFAOYSA-N
MW317.43 g/mol
LogP5.26
Rot. Bonds7

About 1-phenyl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]ethanamine

1-phenyl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]ethanamine (PubChem CID 54847639) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-phenyl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-phenyl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]ethanamine
PubChem CID54847639
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name1-phenyl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]ethanamine
SMILESC=CCOc1ccc2ccccc2c1CNC(C)c1ccccc1
InChIInChI=1S/C22H23NO/c1-3-15-24-22-14-13-19-11-7-8-12-20(19)21(22)16-23-17(2)18-9-5-4-6-10-18/h3-14,17,23H,1,15-16H2,2H3
InChIKeyPFFTVGPCYBDXDL-UHFFFAOYSA-N
XLogP5.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.43
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-phenyl-N-[(2-propoxynaphthalen-1-yl)methyl]ethanamine
CID 29225446
1-phenyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;hydrochloride
CID 17289596
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
CID 17054825
(1S)-N-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
CID 51991944
(1R)-1-phenyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 8004461
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
CID 4715514
N-[[2-[(E)-3-chloroprop-2-enoxy]naphthalen-1-yl]methyl]propan-2-amine
CID 60888087
N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-2-amine;hydrochloride
CID 17155735
N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylpropan-1-amine
CID 54848983
(1S)-N-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-1-phenylethanamine
CID 2217269
1-(oxolan-2-yl)-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]methanamine
CID 2969882
1-[(2R)-oxolan-2-yl]-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]methanamine
CID 2111519

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]ethanamine?
The IUPAC name of 1-phenyl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]ethanamine (CID 54847639) is 1-phenyl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]ethanamine.
What is the SMILES notation for 1-phenyl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]ethanamine?
The canonical SMILES for 1-phenyl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]ethanamine is C=CCOc1ccc2ccccc2c1CNC(C)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]ethanamine?
The InChIKey is PFFTVGPCYBDXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c1-3-15-24-22-14-13-19-11-7-8-12-20(19)21(22)16-23-17(2)18-9-5-4-6-10-18/h3-14,17,23H,1,15-16H2,2H3.
What are the key properties of 1-phenyl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]ethanamine?
1-phenyl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]ethanamine has a molecular weight of 317.43 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]ethanamine is sourced from PubChem (CID 54847639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).