(E)-N-(naphthalen-1-ylmethyl)-3-phenyl-N-propan-2-ylprop-2-en-1-amine

C23H25N — CID 12912976

IUPAC(E)-N-(naphthalen-1-ylmethyl)-3-phenyl-N-propan-2-ylprop-2-en-1-amine
SMILESCC(C)N(C/C=C/c1ccccc1)Cc1cccc2ccccc12
InChIInChI=1S/C23H25N/c1-19(2)24(17-9-12-20-10-4-3-5-11-20)18-22-15-8-14-21-13-6-7-16-23(21)22/h3-16,19H,17-18H2,1-2H3/b12-9+
InChIKeyDANKZNWALWCRKG-FMIVXFBMSA-N
MW315.46 g/mol
LogP5.76
Rot. Bonds6

About (E)-N-(naphthalen-1-ylmethyl)-3-phenyl-N-propan-2-ylprop-2-en-1-amine

(E)-N-(naphthalen-1-ylmethyl)-3-phenyl-N-propan-2-ylprop-2-en-1-amine (PubChem CID 12912976) has the molecular formula C23H25N and a molecular weight of 315.46 g/mol. Its IUPAC name is (E)-N-(naphthalen-1-ylmethyl)-3-phenyl-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-(naphthalen-1-ylmethyl)-3-phenyl-N-propan-2-ylprop-2-en-1-amine
PubChem CID12912976
Molecular FormulaC23H25N
Molecular Weight315.46 g/mol
Exact Mass315.20
IUPAC Name(E)-N-(naphthalen-1-ylmethyl)-3-phenyl-N-propan-2-ylprop-2-en-1-amine
SMILESCC(C)N(C/C=C/c1ccccc1)Cc1cccc2ccccc12
InChIInChI=1S/C23H25N/c1-19(2)24(17-9-12-20-10-4-3-5-11-20)18-22-15-8-14-21-13-6-7-16-23(21)22/h3-16,19H,17-18H2,1-2H3/b12-9+
InChIKeyDANKZNWALWCRKG-FMIVXFBMSA-N
XLogP5.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.46
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(naphthalen-1-ylmethyl)-3-phenyl-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of (E)-N-(naphthalen-1-ylmethyl)-3-phenyl-N-propan-2-ylprop-2-en-1-amine (CID 12912976) is (E)-N-(naphthalen-1-ylmethyl)-3-phenyl-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-(naphthalen-1-ylmethyl)-3-phenyl-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for (E)-N-(naphthalen-1-ylmethyl)-3-phenyl-N-propan-2-ylprop-2-en-1-amine is CC(C)N(C/C=C/c1ccccc1)Cc1cccc2ccccc12.
What is the InChIKey of (E)-N-(naphthalen-1-ylmethyl)-3-phenyl-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is DANKZNWALWCRKG-FMIVXFBMSA-N. The full InChI is InChI=1S/C23H25N/c1-19(2)24(17-9-12-20-10-4-3-5-11-20)18-22-15-8-14-21-13-6-7-16-23(21)22/h3-16,19H,17-18H2,1-2H3/b12-9+.
What are the key properties of (E)-N-(naphthalen-1-ylmethyl)-3-phenyl-N-propan-2-ylprop-2-en-1-amine?
(E)-N-(naphthalen-1-ylmethyl)-3-phenyl-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 315.46 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(naphthalen-1-ylmethyl)-3-phenyl-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 12912976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).