N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methyl-3,3-diphenylprop-2-en-1-amine

C25H27NO — CID 155690028

IUPACN-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methyl-3,3-diphenylprop-2-en-1-amine
SMILESCOc1ccc([C@@H](C)N(C)CC=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H27NO/c1-20(21-14-16-24(27-3)17-15-21)26(2)19-18-25(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-18,20H,19H2,1-3H3/t20-/m1/s1
InChIKeyHXEIECZMEKSHLX-HXUWFJFHSA-N
MW357.50 g/mol
LogP5.82
Rot. Bonds7

About N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methyl-3,3-diphenylprop-2-en-1-amine

N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methyl-3,3-diphenylprop-2-en-1-amine (PubChem CID 155690028) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methyl-3,3-diphenylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methyl-3,3-diphenylprop-2-en-1-amine
PubChem CID155690028
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methyl-3,3-diphenylprop-2-en-1-amine
SMILESCOc1ccc([C@@H](C)N(C)CC=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H27NO/c1-20(21-14-16-24(27-3)17-15-21)26(2)19-18-25(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-18,20H,19H2,1-3H3/t20-/m1/s1
InChIKeyHXEIECZMEKSHLX-HXUWFJFHSA-N
XLogP5.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methyl-3,3-diphenylprop-2-en-1-amine?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methyl-3,3-diphenylprop-2-en-1-amine (CID 155690028) is N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methyl-3,3-diphenylprop-2-en-1-amine.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methyl-3,3-diphenylprop-2-en-1-amine?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methyl-3,3-diphenylprop-2-en-1-amine is COc1ccc([C@@H](C)N(C)CC=C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methyl-3,3-diphenylprop-2-en-1-amine?
The InChIKey is HXEIECZMEKSHLX-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H27NO/c1-20(21-14-16-24(27-3)17-15-21)26(2)19-18-25(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-18,20H,19H2,1-3H3/t20-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methyl-3,3-diphenylprop-2-en-1-amine?
N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methyl-3,3-diphenylprop-2-en-1-amine has a molecular weight of 357.50 g/mol, XLogP of 5.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methyl-3,3-diphenylprop-2-en-1-amine is sourced from PubChem (CID 155690028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).