(Z)-2-methoxy-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-en-1-amine

C22H23NO — CID 68849510

IUPAC(Z)-2-methoxy-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-en-1-amine
SMILESCO/C(=C\c1ccccc1)CN[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C22H23NO/c1-17(21-14-8-12-19-11-6-7-13-22(19)21)23-16-20(24-2)15-18-9-4-3-5-10-18/h3-15,17,23H,16H2,1-2H3/b20-15-/t17-/m1/s1
InChIKeyWVYZHAJOISOGRU-MNTXUITRSA-N
MW317.43 g/mol
LogP5.18
Rot. Bonds6

About (Z)-2-methoxy-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-en-1-amine

(Z)-2-methoxy-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-en-1-amine (PubChem CID 68849510) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is (Z)-2-methoxy-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2-methoxy-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-en-1-amine
PubChem CID68849510
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name(Z)-2-methoxy-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-en-1-amine
SMILESCO/C(=C\c1ccccc1)CN[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C22H23NO/c1-17(21-14-8-12-19-11-6-7-13-22(19)21)23-16-20(24-2)15-18-9-4-3-5-10-18/h3-15,17,23H,16H2,1-2H3/b20-15-/t17-/m1/s1
InChIKeyWVYZHAJOISOGRU-MNTXUITRSA-N
XLogP5.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.43
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(1-naphthalen-1-ylethyl)-3-phenylprop-2-en-1-amine
CID 57178227
N-tert-butyl-2-(1-naphthalen-1-ylethylamino)acetamide
CID 78913257
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(1-naphthalen-1-ylethylamino)acetamide
CID 112800999
N-(2-methoxyphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397269
3-[[(1S)-1-naphthalen-1-ylethyl]amino]propan-1-ol
CID 28714573
3-methyl-1-(1-naphthalen-1-ylethylamino)butan-2-ol
CID 115677077
methyl 2-[[2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzoate
CID 9397461
2-(1-naphthalen-1-ylethylamino)-N,N-bis(prop-2-enyl)acetamide
CID 112800942
(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-enamide
CID 15828773
N-(3-methoxyphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396909
N-(1-naphthalen-1-ylethyl)but-3-en-1-amine
CID 115899601
N-(4-methylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396986

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methoxy-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-en-1-amine?
The IUPAC name of (Z)-2-methoxy-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-en-1-amine (CID 68849510) is (Z)-2-methoxy-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (Z)-2-methoxy-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-en-1-amine?
The canonical SMILES for (Z)-2-methoxy-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-en-1-amine is CO/C(=C\c1ccccc1)CN[C@H](C)c1cccc2ccccc12.
What is the InChIKey of (Z)-2-methoxy-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-en-1-amine?
The InChIKey is WVYZHAJOISOGRU-MNTXUITRSA-N. The full InChI is InChI=1S/C22H23NO/c1-17(21-14-8-12-19-11-6-7-13-22(19)21)23-16-20(24-2)15-18-9-4-3-5-10-18/h3-15,17,23H,16H2,1-2H3/b20-15-/t17-/m1/s1.
What are the key properties of (Z)-2-methoxy-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-en-1-amine?
(Z)-2-methoxy-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-en-1-amine has a molecular weight of 317.43 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methoxy-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 68849510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).