(E)-N-methyl-N-[(4-methylnaphthalen-1-yl)methyl]-3-phenylprop-2-en-1-amine

C22H23N — CID 12912973

IUPAC(E)-N-methyl-N-[(4-methylnaphthalen-1-yl)methyl]-3-phenylprop-2-en-1-amine
SMILESCc1ccc(CN(C)C/C=C/c2ccccc2)c2ccccc12
InChIInChI=1S/C22H23N/c1-18-14-15-20(22-13-7-6-12-21(18)22)17-23(2)16-8-11-19-9-4-3-5-10-19/h3-15H,16-17H2,1-2H3/b11-8+
InChIKeyPZURTOYTSWESEF-DHZHZOJOSA-N
MW301.43 g/mol
LogP5.29
Rot. Bonds5

About (E)-N-methyl-N-[(4-methylnaphthalen-1-yl)methyl]-3-phenylprop-2-en-1-amine

(E)-N-methyl-N-[(4-methylnaphthalen-1-yl)methyl]-3-phenylprop-2-en-1-amine (PubChem CID 12912973) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is (E)-N-methyl-N-[(4-methylnaphthalen-1-yl)methyl]-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-methyl-N-[(4-methylnaphthalen-1-yl)methyl]-3-phenylprop-2-en-1-amine
PubChem CID12912973
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC Name(E)-N-methyl-N-[(4-methylnaphthalen-1-yl)methyl]-3-phenylprop-2-en-1-amine
SMILESCc1ccc(CN(C)C/C=C/c2ccccc2)c2ccccc12
InChIInChI=1S/C22H23N/c1-18-14-15-20(22-13-7-6-12-21(18)22)17-23(2)16-8-11-19-9-4-3-5-10-19/h3-15H,16-17H2,1-2H3/b11-8+
InChIKeyPZURTOYTSWESEF-DHZHZOJOSA-N
XLogP5.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-N-[(4-methylnaphthalen-1-yl)methyl]-3-phenylprop-2-en-1-amine?
The IUPAC name of (E)-N-methyl-N-[(4-methylnaphthalen-1-yl)methyl]-3-phenylprop-2-en-1-amine (CID 12912973) is (E)-N-methyl-N-[(4-methylnaphthalen-1-yl)methyl]-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-methyl-N-[(4-methylnaphthalen-1-yl)methyl]-3-phenylprop-2-en-1-amine?
The canonical SMILES for (E)-N-methyl-N-[(4-methylnaphthalen-1-yl)methyl]-3-phenylprop-2-en-1-amine is Cc1ccc(CN(C)C/C=C/c2ccccc2)c2ccccc12.
What is the InChIKey of (E)-N-methyl-N-[(4-methylnaphthalen-1-yl)methyl]-3-phenylprop-2-en-1-amine?
The InChIKey is PZURTOYTSWESEF-DHZHZOJOSA-N. The full InChI is InChI=1S/C22H23N/c1-18-14-15-20(22-13-7-6-12-21(18)22)17-23(2)16-8-11-19-9-4-3-5-10-19/h3-15H,16-17H2,1-2H3/b11-8+.
What are the key properties of (E)-N-methyl-N-[(4-methylnaphthalen-1-yl)methyl]-3-phenylprop-2-en-1-amine?
(E)-N-methyl-N-[(4-methylnaphthalen-1-yl)methyl]-3-phenylprop-2-en-1-amine has a molecular weight of 301.43 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-N-[(4-methylnaphthalen-1-yl)methyl]-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 12912973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).