4-[(1R)-1-[3,3-diphenylprop-2-enyl(methyl)amino]ethyl]phenol;methane

C25H29NO — CID 164987732

IUPAC4-[(1R)-1-[3,3-diphenylprop-2-enyl(methyl)amino]ethyl]phenol;methane
SMILESC.C[C@H](c1ccc(O)cc1)N(C)CC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NO.CH4/c1-19(20-13-15-23(26)16-14-20)25(2)18-17-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22;/h3-17,19,26H,18H2,1-2H3;1H4/t19-;/m1./s1
InChIKeyGJZVHTZPVIXDHI-FSRHSHDFSA-N
MW359.51 g/mol
LogP6.15
Rot. Bonds6

About 4-[(1R)-1-[3,3-diphenylprop-2-enyl(methyl)amino]ethyl]phenol;methane

4-[(1R)-1-[3,3-diphenylprop-2-enyl(methyl)amino]ethyl]phenol;methane (PubChem CID 164987732) has the molecular formula C25H29NO and a molecular weight of 359.51 g/mol. Its IUPAC name is 4-[(1R)-1-[3,3-diphenylprop-2-enyl(methyl)amino]ethyl]phenol;methane.

Molecular Properties

Compound Name4-[(1R)-1-[3,3-diphenylprop-2-enyl(methyl)amino]ethyl]phenol;methane
PubChem CID164987732
Molecular FormulaC25H29NO
Molecular Weight359.51 g/mol
Exact Mass359.22
IUPAC Name4-[(1R)-1-[3,3-diphenylprop-2-enyl(methyl)amino]ethyl]phenol;methane
SMILESC.C[C@H](c1ccc(O)cc1)N(C)CC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NO.CH4/c1-19(20-13-15-23(26)16-14-20)25(2)18-17-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22;/h3-17,19,26H,18H2,1-2H3;1H4/t19-;/m1./s1
InChIKeyGJZVHTZPVIXDHI-FSRHSHDFSA-N
XLogP6.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.51
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-[3,3-diphenylprop-2-enyl(methyl)amino]ethyl]phenol;methane?
The IUPAC name of 4-[(1R)-1-[3,3-diphenylprop-2-enyl(methyl)amino]ethyl]phenol;methane (CID 164987732) is 4-[(1R)-1-[3,3-diphenylprop-2-enyl(methyl)amino]ethyl]phenol;methane.
What is the SMILES notation for 4-[(1R)-1-[3,3-diphenylprop-2-enyl(methyl)amino]ethyl]phenol;methane?
The canonical SMILES for 4-[(1R)-1-[3,3-diphenylprop-2-enyl(methyl)amino]ethyl]phenol;methane is C.C[C@H](c1ccc(O)cc1)N(C)CC=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[(1R)-1-[3,3-diphenylprop-2-enyl(methyl)amino]ethyl]phenol;methane?
The InChIKey is GJZVHTZPVIXDHI-FSRHSHDFSA-N. The full InChI is InChI=1S/C24H25NO.CH4/c1-19(20-13-15-23(26)16-14-20)25(2)18-17-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22;/h3-17,19,26H,18H2,1-2H3;1H4/t19-;/m1./s1.
What are the key properties of 4-[(1R)-1-[3,3-diphenylprop-2-enyl(methyl)amino]ethyl]phenol;methane?
4-[(1R)-1-[3,3-diphenylprop-2-enyl(methyl)amino]ethyl]phenol;methane has a molecular weight of 359.51 g/mol, XLogP of 6.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-[3,3-diphenylprop-2-enyl(methyl)amino]ethyl]phenol;methane is sourced from PubChem (CID 164987732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).