1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethenamine

C24H25NO2 — CID 142213579

IUPAC1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethenamine
SMILESC=C(N)c1cc(OCc2ccccc2C)cc(OCc2ccccc2C)c1
InChIInChI=1S/C24H25NO2/c1-17-8-4-6-10-20(17)15-26-23-12-22(19(3)25)13-24(14-23)27-16-21-11-7-5-9-18(21)2/h4-14H,3,15-16,25H2,1-2H3
InChIKeyFYLPDKYOCIBDFS-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.39
Rot. Bonds7

About 1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethenamine

1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethenamine (PubChem CID 142213579) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethenamine.

Molecular Properties

Compound Name1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethenamine
PubChem CID142213579
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethenamine
SMILESC=C(N)c1cc(OCc2ccccc2C)cc(OCc2ccccc2C)c1
InChIInChI=1S/C24H25NO2/c1-17-8-4-6-10-20(17)15-26-23-12-22(19(3)25)13-24(14-23)27-16-21-11-7-5-9-18(21)2/h4-14H,3,15-16,25H2,1-2H3
InChIKeyFYLPDKYOCIBDFS-UHFFFAOYSA-N
XLogP5.39
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethanone
CID 142213591
1-[3-[(2-methylphenyl)methoxy]phenyl]ethanone
CID 765227
1-methyl-2-[(3-methylphenoxy)methyl]benzene
CID 60627935
3-(1-methoxypropoxy)-5-[(2-methylphenyl)methoxy]benzoic acid
CID 66921158
4-[(2-methylphenyl)methoxy]benzohydrazide
CID 17349910
acetylene;1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethanone;N-(2-methylprop-1-enyl)propan-2-imine
CID 142213590
methyl 3-(1-methoxypropan-2-yloxy)-5-[(2-methylphenyl)methoxy]benzoate
CID 71021525
prop-2-ynyl 3-[(2-methylphenyl)methoxy]benzoate
CID 91681572
1-ethyl-2-methylbenzene;(E)-N-[1-[3-methyl-5-[(2-methylphenyl)methoxy]phenyl]ethenyl]but-2-en-2-amine;prop-1-ene
CID 142213415
ethyl 4-methoxy-3-[(2-methylphenyl)methoxy]benzoate
CID 91681650
3,5-dichloro-4-[(2-methylphenyl)methoxy]benzamide
CID 91682780
N-[1-[4-[(2-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 74598649

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethenamine?
The IUPAC name of 1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethenamine (CID 142213579) is 1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethenamine.
What is the SMILES notation for 1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethenamine?
The canonical SMILES for 1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethenamine is C=C(N)c1cc(OCc2ccccc2C)cc(OCc2ccccc2C)c1.
What is the InChIKey of 1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethenamine?
The InChIKey is FYLPDKYOCIBDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c1-17-8-4-6-10-20(17)15-26-23-12-22(19(3)25)13-24(14-23)27-16-21-11-7-5-9-18(21)2/h4-14H,3,15-16,25H2,1-2H3.
What are the key properties of 1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethenamine?
1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethenamine has a molecular weight of 359.47 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethenamine is sourced from PubChem (CID 142213579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).