N-methoxy-1,3-bis(4-methylphenyl)-1,3-diphenylprop-1-en-2-amine

C30H29NO — CID 57215443

IUPACN-methoxy-1,3-bis(4-methylphenyl)-1,3-diphenylprop-1-en-2-amine
SMILESCONC(=C(c1ccccc1)c1ccc(C)cc1)C(c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C30H29NO/c1-22-14-18-26(19-15-22)28(24-10-6-4-7-11-24)30(31-32-3)29(25-12-8-5-9-13-25)27-20-16-23(2)17-21-27/h4-21,28,31H,1-3H3
InChIKeyMIIXYNBRVQZASO-UHFFFAOYSA-N
MW419.57 g/mol
LogP7.05
Rot. Bonds7

About N-methoxy-1,3-bis(4-methylphenyl)-1,3-diphenylprop-1-en-2-amine

N-methoxy-1,3-bis(4-methylphenyl)-1,3-diphenylprop-1-en-2-amine (PubChem CID 57215443) has the molecular formula C30H29NO and a molecular weight of 419.57 g/mol. Its IUPAC name is N-methoxy-1,3-bis(4-methylphenyl)-1,3-diphenylprop-1-en-2-amine.

Molecular Properties

Compound NameN-methoxy-1,3-bis(4-methylphenyl)-1,3-diphenylprop-1-en-2-amine
PubChem CID57215443
Molecular FormulaC30H29NO
Molecular Weight419.57 g/mol
Exact Mass419.22
IUPAC NameN-methoxy-1,3-bis(4-methylphenyl)-1,3-diphenylprop-1-en-2-amine
SMILESCONC(=C(c1ccccc1)c1ccc(C)cc1)C(c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C30H29NO/c1-22-14-18-26(19-15-22)28(24-10-6-4-7-11-24)30(31-32-3)29(25-12-8-5-9-13-25)27-20-16-23(2)17-21-27/h4-21,28,31H,1-3H3
InChIKeyMIIXYNBRVQZASO-UHFFFAOYSA-N
XLogP7.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.57
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Phenyl-bis(4-methylphenyl)-biphenyl-4,4-diamine
CID 129722036
[(Methoxyamino)(diphenyl)methyl]benzene
CID 3384746
3,4,5-triphenyl-2H-oxazine
CID 54008469
1,1,3,3-Tetraphenylprop-1-en-2-amine
CID 58339646
2-[2-(4-Methylphenyl)phenyl]-1,2-diphenylethenamine
CID 66718951
(E)-1,1,1,4-tetraphenylbut-2-ene-2,3-diamine
CID 69502511
2-(2-Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)propan-2-amine
CID 69612412
5-[3-(4-Ethylphenyl)-2-phenylpropyl]cyclohexa-1,3-dien-1-amine
CID 70262358
3,7-Bis(4-ethylphenyl)-5-(4-methylphenyl)nona-3,6-diene-4,6-diamine
CID 70396740
3-trityl-2H-oxazine
CID 70579892
N-[3-phenyl-3-(3-phenylphenyl)prop-1-en-2-yl]hydroxylamine
CID 88250875
N-[3-[4-(4-phenylbutyl)phenyl]prop-1-en-2-yl]hydroxylamine
CID 88936696

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1,3-bis(4-methylphenyl)-1,3-diphenylprop-1-en-2-amine?
The IUPAC name of N-methoxy-1,3-bis(4-methylphenyl)-1,3-diphenylprop-1-en-2-amine (CID 57215443) is N-methoxy-1,3-bis(4-methylphenyl)-1,3-diphenylprop-1-en-2-amine.
What is the SMILES notation for N-methoxy-1,3-bis(4-methylphenyl)-1,3-diphenylprop-1-en-2-amine?
The canonical SMILES for N-methoxy-1,3-bis(4-methylphenyl)-1,3-diphenylprop-1-en-2-amine is CONC(=C(c1ccccc1)c1ccc(C)cc1)C(c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of N-methoxy-1,3-bis(4-methylphenyl)-1,3-diphenylprop-1-en-2-amine?
The InChIKey is MIIXYNBRVQZASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO/c1-22-14-18-26(19-15-22)28(24-10-6-4-7-11-24)30(31-32-3)29(25-12-8-5-9-13-25)27-20-16-23(2)17-21-27/h4-21,28,31H,1-3H3.
What are the key properties of N-methoxy-1,3-bis(4-methylphenyl)-1,3-diphenylprop-1-en-2-amine?
N-methoxy-1,3-bis(4-methylphenyl)-1,3-diphenylprop-1-en-2-amine has a molecular weight of 419.57 g/mol, XLogP of 7.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1,3-bis(4-methylphenyl)-1,3-diphenylprop-1-en-2-amine is sourced from PubChem (CID 57215443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).