N,N,3-trimethyl-2,4,6-triphenylpyran-2-amine

C26H25NO — CID 12753129

IUPACN,N,3-trimethyl-2,4,6-triphenylpyran-2-amine
SMILESCC1=C(c2ccccc2)C=C(c2ccccc2)OC1(c1ccccc1)N(C)C
InChIInChI=1S/C26H25NO/c1-20-24(21-13-7-4-8-14-21)19-25(22-15-9-5-10-16-22)28-26(20,27(2)3)23-17-11-6-12-18-23/h4-19H,1-3H3
InChIKeyYLDKXFSIZMPVNR-UHFFFAOYSA-N
MW367.49 g/mol
LogP5.95
Rot. Bonds4

About N,N,3-trimethyl-2,4,6-triphenylpyran-2-amine

N,N,3-trimethyl-2,4,6-triphenylpyran-2-amine (PubChem CID 12753129) has the molecular formula C26H25NO and a molecular weight of 367.49 g/mol. Its IUPAC name is N,N,3-trimethyl-2,4,6-triphenylpyran-2-amine.

Molecular Properties

Compound NameN,N,3-trimethyl-2,4,6-triphenylpyran-2-amine
PubChem CID12753129
Molecular FormulaC26H25NO
Molecular Weight367.49 g/mol
Exact Mass367.19
IUPAC NameN,N,3-trimethyl-2,4,6-triphenylpyran-2-amine
SMILESCC1=C(c2ccccc2)C=C(c2ccccc2)OC1(c1ccccc1)N(C)C
InChIInChI=1S/C26H25NO/c1-20-24(21-13-7-4-8-14-21)19-25(22-15-9-5-10-16-22)28-26(20,27(2)3)23-17-11-6-12-18-23/h4-19H,1-3H3
InChIKeyYLDKXFSIZMPVNR-UHFFFAOYSA-N
XLogP5.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzhydryl-4-ethoxy-4-phenylpiperidine
CID 10022129
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CID 10043898
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CID 10317947
1-Benzyl-4-(2-(diphenylmethoxy)ethyl)piperidine
CID 9952105
4-Benzhydryloxymethyl-1-benzyl-piperidine
CID 10761755
4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benzyl)-1,2,3,6-tetrahydro-pyridine
CID 11729096
N,N-dimethyl-1-phenyl-4-phenylmethoxycyclohexan-1-amine;hydrochloride
CID 21093241
4-Benzyl-2,2-dimethyl-6,6-diphenylmorpholine;hydrochloride
CID 12283002
1-Methoxy-n,n-dimethyl-1,1-diphenylmethanamine
CID 219164
3-Benzyl-4,5-diphenyl-1,3-oxazol-2(3H)-one
CID 12345610
2-Methylamino-4-phenyl-2,6-bis(pentafluorophenyl)-2h-pyran
CID 15099819
4-[(2,6-Diphenyl-4H-pyran-4-ylidene)methyl]-N,N-dimethylaniline
CID 2751493

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-2,4,6-triphenylpyran-2-amine?
The IUPAC name of N,N,3-trimethyl-2,4,6-triphenylpyran-2-amine (CID 12753129) is N,N,3-trimethyl-2,4,6-triphenylpyran-2-amine.
What is the SMILES notation for N,N,3-trimethyl-2,4,6-triphenylpyran-2-amine?
The canonical SMILES for N,N,3-trimethyl-2,4,6-triphenylpyran-2-amine is CC1=C(c2ccccc2)C=C(c2ccccc2)OC1(c1ccccc1)N(C)C.
What is the InChIKey of N,N,3-trimethyl-2,4,6-triphenylpyran-2-amine?
The InChIKey is YLDKXFSIZMPVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO/c1-20-24(21-13-7-4-8-14-21)19-25(22-15-9-5-10-16-22)28-26(20,27(2)3)23-17-11-6-12-18-23/h4-19H,1-3H3.
What are the key properties of N,N,3-trimethyl-2,4,6-triphenylpyran-2-amine?
N,N,3-trimethyl-2,4,6-triphenylpyran-2-amine has a molecular weight of 367.49 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-2,4,6-triphenylpyran-2-amine is sourced from PubChem (CID 12753129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).