3-[3-[(Z)-2-(3-methoxynaphthalen-2-yl)ethenyl]phenyl]propan-1-amine

C22H23NO — CID 25100876

IUPAC3-[3-[(Z)-2-(3-methoxynaphthalen-2-yl)ethenyl]phenyl]propan-1-amine
SMILESCOc1cc2ccccc2cc1/C=C\c1cccc(CCCN)c1
InChIInChI=1S/C22H23NO/c1-24-22-16-20-10-3-2-9-19(20)15-21(22)12-11-18-7-4-6-17(14-18)8-5-13-23/h2-4,6-7,9-12,14-16H,5,8,13,23H2,1H3/b12-11-
InChIKeyLGLOMWKWZRFVPM-QXMHVHEDSA-N
MW317.43 g/mol
LogP4.91
Rot. Bonds6

About 3-[3-[(Z)-2-(3-methoxynaphthalen-2-yl)ethenyl]phenyl]propan-1-amine

3-[3-[(Z)-2-(3-methoxynaphthalen-2-yl)ethenyl]phenyl]propan-1-amine (PubChem CID 25100876) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-[3-[(Z)-2-(3-methoxynaphthalen-2-yl)ethenyl]phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-[(Z)-2-(3-methoxynaphthalen-2-yl)ethenyl]phenyl]propan-1-amine
PubChem CID25100876
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name3-[3-[(Z)-2-(3-methoxynaphthalen-2-yl)ethenyl]phenyl]propan-1-amine
SMILESCOc1cc2ccccc2cc1/C=C\c1cccc(CCCN)c1
InChIInChI=1S/C22H23NO/c1-24-22-16-20-10-3-2-9-19(20)15-21(22)12-11-18-7-4-6-17(14-18)8-5-13-23/h2-4,6-7,9-12,14-16H,5,8,13,23H2,1H3/b12-11-
InChIKeyLGLOMWKWZRFVPM-QXMHVHEDSA-N
XLogP4.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(Z)-2-(3-methoxynaphthalen-2-yl)ethenyl]phenyl]propan-1-amine?
The IUPAC name of 3-[3-[(Z)-2-(3-methoxynaphthalen-2-yl)ethenyl]phenyl]propan-1-amine (CID 25100876) is 3-[3-[(Z)-2-(3-methoxynaphthalen-2-yl)ethenyl]phenyl]propan-1-amine.
What is the SMILES notation for 3-[3-[(Z)-2-(3-methoxynaphthalen-2-yl)ethenyl]phenyl]propan-1-amine?
The canonical SMILES for 3-[3-[(Z)-2-(3-methoxynaphthalen-2-yl)ethenyl]phenyl]propan-1-amine is COc1cc2ccccc2cc1/C=C\c1cccc(CCCN)c1.
What is the InChIKey of 3-[3-[(Z)-2-(3-methoxynaphthalen-2-yl)ethenyl]phenyl]propan-1-amine?
The InChIKey is LGLOMWKWZRFVPM-QXMHVHEDSA-N. The full InChI is InChI=1S/C22H23NO/c1-24-22-16-20-10-3-2-9-19(20)15-21(22)12-11-18-7-4-6-17(14-18)8-5-13-23/h2-4,6-7,9-12,14-16H,5,8,13,23H2,1H3/b12-11-.
What are the key properties of 3-[3-[(Z)-2-(3-methoxynaphthalen-2-yl)ethenyl]phenyl]propan-1-amine?
3-[3-[(Z)-2-(3-methoxynaphthalen-2-yl)ethenyl]phenyl]propan-1-amine has a molecular weight of 317.43 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(Z)-2-(3-methoxynaphthalen-2-yl)ethenyl]phenyl]propan-1-amine is sourced from PubChem (CID 25100876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).