N-methyl-N-(naphthalen-1-ylmethyl)-1-[4-[(E)-2-phenylethenyl]phenyl]methanamine

C27H25N — CID 6474290

IUPACN-methyl-N-(naphthalen-1-ylmethyl)-1-[4-[(E)-2-phenylethenyl]phenyl]methanamine
SMILESCN(Cc1ccc(/C=C/c2ccccc2)cc1)Cc1cccc2ccccc12
InChIInChI=1S/C27H25N/c1-28(21-26-12-7-11-25-10-5-6-13-27(25)26)20-24-18-16-23(17-19-24)15-14-22-8-3-2-4-9-22/h2-19H,20-21H2,1H3/b15-14+
InChIKeyHQMGVVPNLBMWSO-CCEZHUSRSA-N
MW363.50 g/mol
LogP6.64
Rot. Bonds6

About N-methyl-N-(naphthalen-1-ylmethyl)-1-[4-[(E)-2-phenylethenyl]phenyl]methanamine

N-methyl-N-(naphthalen-1-ylmethyl)-1-[4-[(E)-2-phenylethenyl]phenyl]methanamine (PubChem CID 6474290) has the molecular formula C27H25N and a molecular weight of 363.50 g/mol. Its IUPAC name is N-methyl-N-(naphthalen-1-ylmethyl)-1-[4-[(E)-2-phenylethenyl]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-N-(naphthalen-1-ylmethyl)-1-[4-[(E)-2-phenylethenyl]phenyl]methanamine
PubChem CID6474290
Molecular FormulaC27H25N
Molecular Weight363.50 g/mol
Exact Mass363.20
IUPAC NameN-methyl-N-(naphthalen-1-ylmethyl)-1-[4-[(E)-2-phenylethenyl]phenyl]methanamine
SMILESCN(Cc1ccc(/C=C/c2ccccc2)cc1)Cc1cccc2ccccc12
InChIInChI=1S/C27H25N/c1-28(21-26-12-7-11-25-10-5-6-13-27(25)26)20-24-18-16-23(17-19-24)15-14-22-8-3-2-4-9-22/h2-19H,20-21H2,1H3/b15-14+
InChIKeyHQMGVVPNLBMWSO-CCEZHUSRSA-N
XLogP6.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(naphthalen-1-ylmethyl)-1-[4-[(E)-2-phenylethenyl]phenyl]methanamine?
The IUPAC name of N-methyl-N-(naphthalen-1-ylmethyl)-1-[4-[(E)-2-phenylethenyl]phenyl]methanamine (CID 6474290) is N-methyl-N-(naphthalen-1-ylmethyl)-1-[4-[(E)-2-phenylethenyl]phenyl]methanamine.
What is the SMILES notation for N-methyl-N-(naphthalen-1-ylmethyl)-1-[4-[(E)-2-phenylethenyl]phenyl]methanamine?
The canonical SMILES for N-methyl-N-(naphthalen-1-ylmethyl)-1-[4-[(E)-2-phenylethenyl]phenyl]methanamine is CN(Cc1ccc(/C=C/c2ccccc2)cc1)Cc1cccc2ccccc12.
What is the InChIKey of N-methyl-N-(naphthalen-1-ylmethyl)-1-[4-[(E)-2-phenylethenyl]phenyl]methanamine?
The InChIKey is HQMGVVPNLBMWSO-CCEZHUSRSA-N. The full InChI is InChI=1S/C27H25N/c1-28(21-26-12-7-11-25-10-5-6-13-27(25)26)20-24-18-16-23(17-19-24)15-14-22-8-3-2-4-9-22/h2-19H,20-21H2,1H3/b15-14+.
What are the key properties of N-methyl-N-(naphthalen-1-ylmethyl)-1-[4-[(E)-2-phenylethenyl]phenyl]methanamine?
N-methyl-N-(naphthalen-1-ylmethyl)-1-[4-[(E)-2-phenylethenyl]phenyl]methanamine has a molecular weight of 363.50 g/mol, XLogP of 6.64, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(naphthalen-1-ylmethyl)-1-[4-[(E)-2-phenylethenyl]phenyl]methanamine is sourced from PubChem (CID 6474290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).